← Back to consensus flows

Sulfonic Acids, C10-c21-alkane, Ph-esters

UUID 5e40d74d-d837-4b00-a300-c2ee5dca9227
Deprecated yes
Replaced By 506207bf-c40b-40f8-8066-da8ce000a454
Flow Object IDfo-e2b9588a498bb9e1
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 91082-17-6
EC Numbers 293-728-5
prefLabel
Language Value Provenance
en Sulfonic Acids, C10-c21-alkane, Ph-esters
References
Shared Properties
Predicate Value
InChIKey UDKSLGIUCGAZTK-UHFFFAOYSA-N
InChI InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
IUPAC name 1-pentadecanesulfonic acid, pentadecane-1-sulfonic acid phenyl ester, phenyl pentadecane-1-sulfonate
Molecular formula C21H36O3S
SMILES CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5e40d74d-d837-4b00-a300-c2ee5dca9227 sulfonic acids, c10-c21-alkane, ph-esters

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 consensus_match group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'91082-17-6': 'exactMatch'} group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "5e40d74d-d837-4b00-a300-c2ee5dca9227",
  "name": null,
  "cas_numbers": [
    "91082-17-6"
  ],
  "ec_numbers": [
    "293-728-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "5e40d74d-d837-4b00-a300-c2ee5dca9227",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "5e40d74d-d837-4b00-a300-c2ee5dca9227",
      "source_flow_name": "sulfonic acids, c10-c21-alkane, ph-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": "Sulfonic Acids, C10-c21-alkane, Ph-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",
    "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": [
        "C21H36O3S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UDKSLGIUCGAZTK-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-pentadecanesulfonic acid",
        "pentadecane-1-sulfonic acid phenyl ester",
        "phenyl pentadecane-1-sulfonate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.624C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.085.174",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=91082-17-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "91082-17-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00274002",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q4FQ4SJ6CW",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/20478723",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[91082-17-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188793",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81977412",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20478723;CAS:91082-17-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[91082-17-6]"
      }
    }
  ],
  "cas_match_labels": {
    "91082-17-6": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:506207bf-c40b-40f8-8066-da8ce000a454",
  "is_replaced_by_uuid": "506207bf-c40b-40f8-8066-da8ce000a454",
  "flow_object_id": "fo-e2b9588a498bb9e1"
}