Consensus flow list

2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide

fo-a0ee29ac28d280f1

Identity

Type
Neutral molecule
CAS
16485-10-2
EC
240-540-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SNPLKNRPJHDVJA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
IUPAC name chemrof:IUPAC_name (±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide
Molecular formula chemrof:molecular_formula C9H19NO4
Molecular mass chemrof:molecular_mass 205.254
Monoisotopic mass chemrof:monoisotopic_mass 205.131408
SMILES string chemrof:smiles_string CC(C)(CO)C(O)C(=O)NCCCO

Known URLs

19

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=16485-10-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.839 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044598 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11204 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=302962 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759127 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759899 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1371937 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WV9CM0O67Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0304820 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J321.113D enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03726 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123387 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82290 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1371937 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4678 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1044977 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q196473 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Panthenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5f96c2ff-f455-4a31-97e7-b7b111a9b801 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4c85b739-77fc-4b5f-9ef8-ceb8fc86216d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f6f03e17-6527-41d3-9606-072a52c25762 Environmental → Air → Indoor EF 3.1 kg 4
b88c47dd-3418-4fa1-b38b-be717e1de553 Environmental → Air → Long-term EF 3.1 kg 0
63bcdcf3-1aac-437a-aa17-e265b05ce251 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
142d60ba-7547-4e7f-b9bb-5c88517948ce Environmental → Air → Unknown EF 3.1 kg 4
26ed6dbf-a069-4ace-b676-3747b7154170 Environmental → Ground → Agricultural EF 3.1 kg 4
473bbb26-275a-4844-b82c-89d8da7e48de Environmental → Ground → Non-agricultural EF 3.1 kg 4
5c0eebcc-74d5-4939-9818-8d2177ae48b4 Environmental → Ground → Unknown EF 3.1 kg 4
e7cab797-bdf1-4b1e-9b9f-bb6ff9a3f2a9 Environmental → Water → Long-term EF 3.1 kg 0
57395c21-684a-47bd-a356-6a4a462e2a0f Environmental → Water → Ocean EF 3.1 kg 4
1d32f40e-3721-44a1-9947-04e2aa690686 Environmental → Water → Surface water EF 3.1 kg 4
77fa183a-d5d8-40fc-865b-270099fe7b44 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a0ee29ac28d280f1",
  "prefLabel": [
    {
      "@value": "2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (±)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (±)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyramide, α,γ-dihydroxy-N-(3-hydroxypropyl)-β,β-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-Panthenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-Pantothenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-Pantothenyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ritapan DL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:16485-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H19NO4"
      ],
      "attested_by": {
        "C9H19NO4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4678"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SNPLKNRPJHDVJA-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SNPLKNRPJHDVJA-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4678"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)(CO)C(O)C(=O)NCCCO"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ],
      "attested_by": {
        "CC(C)(CO)C(O)C(=O)NCCCO": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide"
        ]
      },
      "attested_by": {
        "(±)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        205.254
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(C(=O)NCCCO)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ],
      "attested_by": {
        "205.254": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        205.131408
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(C(=O)NCCCO)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(CO)C(O)C(=O)NCCCO"
          ]
        }
      ],
      "attested_by": {
        "205.131408": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J321.113D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.036.839",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "16485-10-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3044598",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=302962",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759127",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759899",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Panthenol",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WV9CM0O67Z",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0304820",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82290",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://platform.opentargets.org/drug/CHEMBL1371937",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4678",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[16485-10-2]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1044977",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://www.drugbank.ca/drugs/DB11204",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1371937",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/D03726",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123387",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q196473",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4678;CAS:16485-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[16485-10-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "142d60ba-7547-4e7f-b9bb-5c88517948ce",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "16485-10-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=16485-10-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "240-540-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=240-540-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.