Methyl Cyclopentylideneacetate

← Back to consensus flows

Methyl Cyclopentylideneacetate

UUID 1b4c1aeb-79af-428c-b84d-4af6119dde8a

Deprecated yes

Replaced By 7ee7dc31-55bf-43bb-b42a-a92b416f2af6

Flow Object ID fo-865a84a0c5cfa845

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 40203-73-4

EC Numbers 254-837-3

prefLabel

Language	Value	Provenance
`en`	`Methyl Cyclopentylideneacetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Acetic acid, 2-cyclopentylidene-, methyl ester`
`en`	`Acetic acid, cyclopentylidene-, methyl ester`
`en`	`Methyl 2-cyclopentylideneacetate`

References

Shared Properties

Predicate	Value
InChIKey	`DMWRWTMLTXLUSX-UHFFFAOYSA-N, ZDBCSZOFHPULAS-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H19NO6/c15-7-9(16)10(17)11(18)12(19)13(20)14-6-8-4-2-1-3-5-8/h1-5,9-12,15-19H,6-7H2,(H,14,20), InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3`
IUPAC name	`2,3,4,5,6-pentahydroxy-N-(phenylmethyl)hexanamide, 2,3,4,5,6-pentakis(oxidanyl)-N-(phenylmethyl)hexanamide, 2-cyclopentylideneacetic acid methyl ester, N-benzyl-2,3,4,5,6-pentahydroxy-hexanamide, N-benzyl-2,3,4,5,6-pentahydroxyhexanamide, methyl 2-cyclopentylideneacetate, methyl 2-cyclopentylideneethanoate`
Molecular formula	`C13H19NO6, C8H12O2`
SMILES	`C1=CC=C(C=C1)CNC(=O)C(C(C(C(CO)O)O)O)O, COC(=O)C=C1CCCC1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`1b4c1aeb-79af-428c-b84d-4af6119dde8a`	methyl cyclopentylideneacetate

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=methylcyclopentylideneacetate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=40203-73-4; added Common Chemistry CAS names as altLabel: Acetic acid, 2-cyclopentylidene-, methyl ester, Acetic acid, cyclopentylidene-, methyl ester, Methyl 2-cyclopentylideneacetate; object_uuid=fo-865a84a0c5cfa845
`cas_match_labels`	1	`—`	consensus_match	group_key=methylcyclopentylideneacetate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40203-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865a84a0c5cfa845: {'40203-73-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Acetic acid, 2-cyclopentylidene-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40203-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=40203-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, cyclopentylidene-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40203-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=40203-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2-cyclopentylideneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:40203-73-4', 'https://commonchemistry.cas.org/detail?cas_rn=40203-73-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methylcyclopentylideneacetate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=40203-73-4; added Common Chemistry CAS names as altLabel: Acetic acid, 2-cyclopentylidene-, methyl ester, Acetic acid, cyclopentylidene-, methyl ester, Methyl 2-cyclopentylideneacetate; object_uuid=fo-865a84a0c5cfa845
`cas_match_labels`	`None`	`{'40203-73-4': 'exactMatch'}`	group_key=methylcyclopentylideneacetate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40203-73-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-865a84a0c5cfa845: {'40203-73-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "1b4c1aeb-79af-428c-b84d-4af6119dde8a",
  "name": null,
  "cas_numbers": [
    "40203-73-4"
  ],
  "ec_numbers": [
    "254-837-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "1b4c1aeb-79af-428c-b84d-4af6119dde8a",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "1b4c1aeb-79af-428c-b84d-4af6119dde8a",
      "source_flow_name": "methyl cyclopentylideneacetate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Methyl Cyclopentylideneacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H19NO6",
        "C8H12O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409",
          "CID:226313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DMWRWTMLTXLUSX-UHFFFAOYSA-N",
        "ZDBCSZOFHPULAS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409",
          "CID:226313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C=C1)CNC(=O)C(C(C(C(CO)O)O)O)O",
        "COC(=O)C=C1CCCC1"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409",
          "CID:226313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H19NO6/c15-7-9(16)10(17)11(18)12(19)13(20)14-6-8-4-2-1-3-5-8/h1-5,9-12,15-19H,6-7H2,(H,14,20)",
        "InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409",
          "CID:226313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,3,4,5,6-pentahydroxy-N-(phenylmethyl)hexanamide",
        "2,3,4,5,6-pentakis(oxidanyl)-N-(phenylmethyl)hexanamide",
        "2-cyclopentylideneacetic acid methyl ester",
        "N-benzyl-2,3,4,5,6-pentahydroxy-hexanamide",
        "N-benzyl-2,3,4,5,6-pentahydroxyhexanamide",
        "methyl 2-cyclopentylideneacetate",
        "methyl 2-cyclopentylideneethanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409",
          "CID:226313"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.238F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.049.835",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=40203-73-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "40203-73-4"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00280385",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:226313;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2052077",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16673",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:226313;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NBV7T69H2R",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162409",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[40203-73-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/226313",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:226313;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[40203-73-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3901660",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:226313;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81984922",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162409;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82013656",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:226313;CAS:40203-73-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[40203-73-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetic acid, 2-cyclopentylidene-, methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40203-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=40203-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, cyclopentylidene-, methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40203-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=40203-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 2-cyclopentylideneacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40203-73-4",
          "https://commonchemistry.cas.org/detail?cas_rn=40203-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "40203-73-4": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:7ee7dc31-55bf-43bb-b42a-a92b416f2af6",
  "is_replaced_by_uuid": "7ee7dc31-55bf-43bb-b42a-a92b416f2af6",
  "flow_object_id": "fo-865a84a0c5cfa845"
}