Consensus flow list

Hydroxy(2-methylprop-2-enoato-o)zinc

fo-31335b9d4a126ec2

Identity

Type
Molecular complex
CAS
63451-47-8
EC
264-202-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Hydroxy(2-methylprop-2-enoato-o)zinc

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CJSCLERRDWRJGA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2;
IUPAC name chemrof:IUPAC_name 2-methyl-2-propenoic acid;zinc;hydrate, 2-methylprop-2-enoic acid;zinc;hydrate, methacrylic acid;zinc;hydrate
Molecular formula chemrof:molecular_formula C4H8O3Zn
Molecular mass chemrof:molecular_mass 169.495
Monoisotopic mass chemrof:monoisotopic_mass 167.976486
SMILES string chemrof:smiles_string CC(=C)C(=O)O.O.[Zn]

Known URLs

5

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=63451-47-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.058.348 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8069858 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/113239 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/49791702 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
a086ab1e-ca69-45fc-b4d7-f7eb75126c3b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
98dd5df3-d718-4ab8-9654-32099e9669c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f64e44bc-33c6-4e7b-bee6-65b6d9608ae5 Environmental → Air → Indoor EF 3.1 kg 4
9360c141-d5f8-41a7-96cd-8d45e9071084 Environmental → Air → Long-term EF 3.1 kg 0
2882e78a-3946-4e98-a4f8-c037e4c104eb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
28f1a97f-54ae-4937-94ac-7c361327142d Environmental → Air → Unknown EF 3.1 kg 4
f2d92d21-f1d8-45dd-aa6d-a31e6b61298e Environmental → Ground → Agricultural EF 3.1 kg 4
f92123a6-f889-4e25-a6cc-7c8d7b8bdfbf Environmental → Ground → Non-agricultural EF 3.1 kg 4
8211ddd0-87e0-4d28-bc0e-224aaf1dc67f Environmental → Ground → Unknown EF 3.1 kg 4
477a1d1b-9c84-404f-ade1-dfcd763a1f64 Environmental → Water → Long-term EF 3.1 kg 0
9b54d305-99e7-4b2d-a58a-51e8a7ec2639 Environmental → Water → Ocean EF 3.1 kg 4
dc579705-6828-43c7-ae31-990e659b0ea2 Environmental → Water → Surface water EF 3.1 kg 4
0f84d61e-ed16-40bd-b6fb-27d8e8b7dd1d 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-31335b9d4a126ec2",
  "prefLabel": [
    {
      "@value": "Hydroxy(2-methylprop-2-enoato-o)zinc",
      "@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-Propenoic acid, 2-methyl-, zinc complex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63451-47-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Blemmer S 111",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63451-47-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxy(2-methyl-2-propenoato-κO)zinc",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63451-47-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc, hydroxy(2-methyl-2-propenoato-O)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63451-47-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zinc, hydroxy(2-methyl-2-propenoato-κO)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:63451-47-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H8O3Zn"
      ],
      "attested_by": {
        "C4H8O3Zn": [
          "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:113239",
            "CID:49791702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CJSCLERRDWRJGA-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "CJSCLERRDWRJGA-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:113239",
            "CID:49791702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(=C)C(=O)O.O.[Zn]"
      ],
      "attested_by": {
        "CC(=C)C(=O)O.O.[Zn]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:113239",
            "CID:49791702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2;"
      ],
      "attested_by": {
        "InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2;": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:113239",
            "CID:49791702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-methyl-2-propenoic acid;zinc;hydrate",
        "2-methylprop-2-enoic acid;zinc;hydrate",
        "methacrylic acid;zinc;hydrate"
      ],
      "attested_by": {
        "2-methyl-2-propenoic acid;zinc;hydrate": [
          "enrich_references.pubchem_semantic"
        ],
        "2-methylprop-2-enoic acid;zinc;hydrate": [
          "enrich_references.pubchem_semantic"
        ],
        "methacrylic acid;zinc;hydrate": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:113239",
          "CID:49791702"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        169.495
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ],
      "attested_by": {
        "169.495": [
          "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": [
        167.976486
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=C)C(=O)O.O.[Zn]"
          ]
        }
      ],
      "attested_by": {
        "167.976486": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.058.348",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:113239;CAS:63451-47-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63451-47-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "63451-47-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8069858",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:113239;CAS:63451-47-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63451-47-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/113239",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:113239;CAS:63451-47-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[63451-47-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/49791702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:49791702;CAS:63451-47-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[63451-47-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0f84d61e-ed16-40bd-b6fb-27d8e8b7dd1d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "63451-47-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=63451-47-8"
        }
      ],
      "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": [
        "264-202-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=264-202-2"
      ],
      "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/MolecularComplex"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.