Consensus flow list

Identity

Type
Neutral molecule
CAS
1192-28-5
EC
214-749-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cyclopentanone Oxime

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YGNXYFLJZILPEK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
IUPAC name chemrof:IUPAC_name Cyclopentanone Oxime
Molecular formula chemrof:molecular_formula C5H9NO
Molecular mass chemrof:molecular_mass 99.133
Monoisotopic mass chemrof:monoisotopic_mass 99.068414
SMILES string chemrof:smiles_string ON=C1CCCC1

Known URLs

10

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=1192-28-5 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194672 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.409 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020363 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3164 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188176 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QY3BV00PCY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J123F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14500 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287562 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
adc03e9e-c7d6-4cf5-a785-63f9fefb3822 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b4a22cdc-4807-49b0-bc3e-1fd44e3c6b02 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e7bbaa84-1c0d-4505-821f-491a63d2449f Environmental → Air → Indoor EF 3.1 kg 2
91f6036e-3611-4b4b-aed6-a12a9298e8f3 Environmental → Air → Long-term EF 3.1 kg 0
4ec649dc-f2e0-4dca-9caf-267bdce71c7f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f7d1400c-f519-47c7-91c0-522e50bd747d Environmental → Air → Unknown EF 3.1 kg 2
876a8302-e78e-40ac-b7d2-40488f6f9386 Environmental → Ground → Agricultural EF 3.1 kg 2
2a684c00-533d-4643-afaf-904442e0f02d Environmental → Ground → Non-agricultural EF 3.1 kg 2
321aa10b-0452-43d4-923f-86664ace4eef Environmental → Ground → Unknown EF 3.1 kg 2
67828db5-f8ca-4dfe-b9cd-6ff50903653e Environmental → Water → Long-term EF 3.1 kg 0
32a96ed4-7e45-4beb-82d0-9a4fa4199c3c Environmental → Water → Ocean EF 3.1 kg 2
bc4e6524-f480-4943-9b8a-59f5d25c76c3 Environmental → Water → Surface water EF 3.1 kg 2
a7cd3fe2-74d5-469e-aefe-9c027b8aa35c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cf261d56d2a9849f",
  "prefLabel": [
    {
      "@value": "Cyclopentanone Oxime",
      "@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": "Cyclopentanone, oxime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1192-28-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1192-28-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H9NO"
      ],
      "attested_by": {
        "C5H9NO": [
          "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:14500"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ON=C1CCCC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YGNXYFLJZILPEK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "YGNXYFLJZILPEK-UHFFFAOYSA-N": [
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "ON=C1CCCC1"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cyclopentanone Oxime"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ON=C1CCCC1"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "Cyclopentanone Oxime"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Cyclopentanone Oxime": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CCC(=NO)C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ON=C1CCCC1"
          ]
        }
      ],
      "attested_by": {
        "99.133": [
          "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": [
        99.068414
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CCC(=NO)C1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ON=C1CCCC1"
          ]
        }
      ],
      "attested_by": {
        "99.068414": [
          "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=J123F",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1192-28-5]"
      }
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    },
    {
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    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2a684c00-533d-4643-afaf-904442e0f02d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1192-28-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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