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Fatty Acids, C16-18 (even Numbered), Esters With Ethylene Glycol

UUID 71f364a8-02d3-4412-bebf-7bf8b3ff18de
Deprecated yes
Replaced By d3451275-c758-4270-9810-34569280e54c
Flow Object IDfo-c308c12de8e91811
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 91031-31-1
EC Numbers 292-932-1
prefLabel
Language Value Provenance
en Fatty Acids, C16-18 (even Numbered), Esters With Ethylene Glycol
altLabel
Language Value Provenance
en Fatty acids, C<sub>16-18</sub>, esters with ethylene glycol
References
Shared Properties
Predicate Value
InChIKey ORMITEZVQRRABL-UHFFFAOYSA-N
InChI InChI=1S/C36H70O5/c1-2-3-4-5-6-7-8-12-15-18-21-24-27-30-35(38)40-33-29-26-23-20-17-14-11-9-10-13-16-19-22-25-28-31-36(39)41-34-32-37/h37H,2-34H2,1H3
IUPAC name 18-(1-oxohexadecoxy)octadecanoic acid 2-hydroxyethyl ester, 18-hexadecanoyloxystearic acid 2-hydroxyethyl ester, 2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate
Molecular formula C36H70O5
SMILES CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 71f364a8-02d3-4412-bebf-7bf8b3ff18de fatty acids, c16-18 (even numbered), esters with ethylene glycol

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=fattyacids,c16-18(evennumbered),esterswithethyleneglycol||dimension=Environmental > media=Water > water_body=Ocean; cas=91031-31-1; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>16-18</sub>, esters with ethylene glycol; object_uuid=fo-c308c12de8e91811
cas_match_labels 1 consensus_match group_key=fattyacids,c16-18(evennumbered),esterswithethyleneglycol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'91031-31-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c308c12de8e91811: {'91031-31-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Fatty acids, C<sub>16-18</sub>, esters with ethylene glycol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91031-31-1', 'https://commonchemistry.cas.org/detail?cas_rn=91031-31-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=fattyacids,c16-18(evennumbered),esterswithethyleneglycol||dimension=Environmental > media=Water > water_body=Ocean; cas=91031-31-1; added Common Chemistry CAS names as altLabel: Fatty acids, C<sub>16-18</sub>, esters with ethylene glycol; object_uuid=fo-c308c12de8e91811
cas_match_labels None {'91031-31-1': 'exactMatch'} group_key=fattyacids,c16-18(evennumbered),esterswithethyleneglycol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'91031-31-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c308c12de8e91811: {'91031-31-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
    "91031-31-1"
  ],
  "ec_numbers": [
    "292-932-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "71f364a8-02d3-4412-bebf-7bf8b3ff18de",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "71f364a8-02d3-4412-bebf-7bf8b3ff18de",
      "source_flow_name": "fatty acids, c16-18 (even numbered), esters with ethylene glycol",
      "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)"
        ]
      }
    }
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  "prefLabel": [
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        ],
        "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": [
        "C36H70O5"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:129560847"
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ORMITEZVQRRABL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      ],
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "18-(1-oxohexadecoxy)octadecanoic acid 2-hydroxyethyl ester",
        "18-hexadecanoyloxystearic acid 2-hydroxyethyl ester",
        "2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
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  },
  "skos:definition": [],
  "references": [
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        "prov:wasDerivedFrom": "pubchem.by_cas[91031-31-1]"
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  "altLabel": [
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      "@language": "en",
      "source": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
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  "cas_match_labels": {
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  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:d3451275-c758-4270-9810-34569280e54c",
  "is_replaced_by_uuid": "d3451275-c758-4270-9810-34569280e54c",
  "flow_object_id": "fo-c308c12de8e91811"
}