← Back to consensus flows

2-butenedioic Acid (2e)-, Di-c16-18 (even Numbered)-alkyl Esters

UUID 0bd0559c-a462-4b63-9b52-378b1d49cb14
Deprecated yes
Replaced By 96d14293-9029-422d-8e31-5b1c90c934d3
Flow Object IDfo-876be29e7325bf3d
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 68921-52-8
EC Numbers 272-944-3
prefLabel
Language Value Provenance
en 2-butenedioic Acid (2e)-, Di-c16-18 (even Numbered)-alkyl Esters
altLabel
Language Value Provenance
en 2-Butenedioic acid (2<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters
en 2-Butenedioic acid (<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters
References
Shared Properties
Predicate Value
InChIKey ZUWLIWZVBOETHU-JEIPZWNWSA-N
InChI InChI=1S/C38H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-37(39)33-34-38(40)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,35-36H2,1-2H3/b34-33+
IUPAC name (E)-2-butenedioic acid diheptadecyl ester, (E)-but-2-enedioic acid diheptadecyl ester, diheptadecyl (E)-but-2-enedioate
Molecular formula C38H72O4
SMILES CCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0bd0559c-a462-4b63-9b52-378b1d49cb14 2-butenedioic acid (2e)-, di-c16-18 (even numbered)-alkyl esters

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=2-butenedioicacid(2e)-,di-c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68921-52-8; added Common Chemistry CAS names as altLabel: 2-Butenedioic acid (2<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters, 2-Butenedioic acid (<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters; object_uuid=fo-876be29e7325bf3d
cas_match_labels 1 consensus_match group_key=2-butenedioicacid(2e)-,di-c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68921-52-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-876be29e7325bf3d: {'68921-52-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Butenedioic acid (2<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68921-52-8', 'https://commonchemistry.cas.org/detail?cas_rn=68921-52-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenedioic acid (<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68921-52-8', 'https://commonchemistry.cas.org/detail?cas_rn=68921-52-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-butenedioicacid(2e)-,di-c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68921-52-8; added Common Chemistry CAS names as altLabel: 2-Butenedioic acid (2<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters, 2-Butenedioic acid (<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters; object_uuid=fo-876be29e7325bf3d
cas_match_labels None {'68921-52-8': 'exactMatch'} group_key=2-butenedioicacid(2e)-,di-c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68921-52-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-876be29e7325bf3d: {'68921-52-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "0bd0559c-a462-4b63-9b52-378b1d49cb14",
  "name": null,
  "cas_numbers": [
    "68921-52-8"
  ],
  "ec_numbers": [
    "272-944-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "0bd0559c-a462-4b63-9b52-378b1d49cb14",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "0bd0559c-a462-4b63-9b52-378b1d49cb14",
      "source_flow_name": "2-butenedioic acid (2e)-, di-c16-18 (even numbered)-alkyl esters",
      "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": "2-butenedioic Acid (2e)-, Di-c16-18 (even Numbered)-alkyl Esters",
      "@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": [
        "C38H72O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZUWLIWZVBOETHU-JEIPZWNWSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCCC",
        "CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C38H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-37(39)33-34-38(40)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32,35-36H2,1-2H3/b34-33+"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(E)-2-butenedioic acid diheptadecyl ester",
        "(E)-but-2-enedioic acid diheptadecyl ester",
        "diheptadecyl (E)-but-2-enedioate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J114.844C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685;CAS:68921-52-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68921-52-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68921-52-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "68921-52-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6437685",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685;CAS:68921-52-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[68921-52-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q76386481",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6437685;CAS:68921-52-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[68921-52-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Butenedioic acid (2<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68921-52-8",
          "https://commonchemistry.cas.org/detail?cas_rn=68921-52-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Butenedioic acid (<em>E</em>)-, di-C<sub>16-18</sub>-alkyl esters",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68921-52-8",
          "https://commonchemistry.cas.org/detail?cas_rn=68921-52-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "68921-52-8": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:96d14293-9029-422d-8e31-5b1c90c934d3",
  "is_replaced_by_uuid": "96d14293-9029-422d-8e31-5b1c90c934d3",
  "flow_object_id": "fo-876be29e7325bf3d"
}