← Back to consensus flows

Disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate

UUID c777c7d4-6fad-48e6-a5f4-85b727d26177
Flow Object IDfo-3246a5fb575aea37
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 58353-68-7
EC Numbers 261-222-3
prefLabel
Language Value Provenance
en Disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate
altLabel
Language Value Provenance
en Butanoic acid, 4-(9-octadecenylamino)-4-oxosulfo-, disodium salt, (<em>Z</em>)-
en Butanoic acid, 4-[(9<em>Z</em>)-9-octadecen-1-ylamino]-4-oxosulfo-, sodium salt (1:2)
en Butanoic acid, 4-[(9<em>Z</em>)-9-octadecenylamino]-4-oxosulfo-, disodium salt
en Sodium oleylsulfosuccinamate
References
Shared Properties
Predicate Value
InChIKey PLHAFYWVSVUQCQ-UHFFFAOYSA-L, PLHAFYWVSVUQCQ-XXAVUKJNSA-L
InChI InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2, InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2/b10-9-;;
IUPAC name disodium;4-(octadec-9-enylamino)-4-oxidanylidene-2-sulfonato-butanoate, disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonato-butanoate, disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonatobutanoate, disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxidanylidene-2-sulfonato-butanoate, disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonato-butanoate, disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate, disodium;4-keto-4-(octadec-9-enylamino)-2-sulfonato-butyrate, disodium;4-keto-4-[[(Z)-octadec-9-enyl]amino]-2-sulfonato-butyrate
Molecular formula C22H39NNa2O6S
SMILES CCCCCCCC/C=C\CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+], CCCCCCCCC=CCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c777c7d4-6fad-48e6-a5f4-85b727d26177 disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch

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=disodium(z)-4-(9-octadecenylamino)-4-oxo-2(or3)-sulphonatobutyrate||dimension=Environmental > media=Ground > geography=Unknown; cas=58353-68-7; added Common Chemistry CAS names as altLabel: Butanoic acid, 4-(9-octadecenylamino)-4-oxosulfo-, disodium salt, (<em>Z</em>)-, Butanoic acid, 4-[(9<em>Z</em>)-9-octadecen-1-ylamino]-4-oxosulfo-, sodium salt (1:2), Butanoic acid, 4-[(9<em>Z</em>)-9-octadecenylamino]-4-oxosulfo-, disodium salt, Sodium oleylsulfosuccinamate; object_uuid=fo-3246a5fb575aea37
cas_match_labels 1 consensus_match group_key=disodium(z)-4-(9-octadecenylamino)-4-oxo-2(or3)-sulphonatobutyrate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58353-68-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3246a5fb575aea37: {'58353-68-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanoic acid, 4-(9-octadecenylamino)-4-oxosulfo-, disodium salt, (<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58353-68-7', 'https://commonchemistry.cas.org/detail?cas_rn=58353-68-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 4-[(9<em>Z</em>)-9-octadecen-1-ylamino]-4-oxosulfo-, sodium salt (1:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58353-68-7', 'https://commonchemistry.cas.org/detail?cas_rn=58353-68-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 4-[(9<em>Z</em>)-9-octadecenylamino]-4-oxosulfo-, disodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58353-68-7', 'https://commonchemistry.cas.org/detail?cas_rn=58353-68-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium oleylsulfosuccinamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:58353-68-7', 'https://commonchemistry.cas.org/detail?cas_rn=58353-68-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=disodium(z)-4-(9-octadecenylamino)-4-oxo-2(or3)-sulphonatobutyrate||dimension=Environmental > media=Ground > geography=Unknown; cas=58353-68-7; added Common Chemistry CAS names as altLabel: Butanoic acid, 4-(9-octadecenylamino)-4-oxosulfo-, disodium salt, (<em>Z</em>)-, Butanoic acid, 4-[(9<em>Z</em>)-9-octadecen-1-ylamino]-4-oxosulfo-, sodium salt (1:2), Butanoic acid, 4-[(9<em>Z</em>)-9-octadecenylamino]-4-oxosulfo-, disodium salt, Sodium oleylsulfosuccinamate; object_uuid=fo-3246a5fb575aea37
cas_match_labels None {'58353-68-7': 'exactMatch'} group_key=disodium(z)-4-(9-octadecenylamino)-4-oxo-2(or3)-sulphonatobutyrate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'58353-68-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3246a5fb575aea37: {'58353-68-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c777c7d4-6fad-48e6-a5f4-85b727d26177",
  "name": null,
  "cas_numbers": [
    "58353-68-7"
  ],
  "ec_numbers": [
    "261-222-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.5335
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.9026e-6
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.9026e-6
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.5335
    }
  ],
  "source": "EF 3.1",
  "identifier": "c777c7d4-6fad-48e6-a5f4-85b727d26177",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "c777c7d4-6fad-48e6-a5f4-85b727d26177",
      "source_flow_name": "disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate",
      "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 air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate",
      "@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-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C22H39NNa2O6S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026",
          "CID:6436712"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PLHAFYWVSVUQCQ-UHFFFAOYSA-L",
        "PLHAFYWVSVUQCQ-XXAVUKJNSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026",
          "CID:6436712"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCC/C=C\\CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]",
        "CCCCCCCCC=CCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026",
          "CID:6436712"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2",
        "InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2/b10-9-;;"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026",
          "CID:6436712"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "disodium;4-(octadec-9-enylamino)-4-oxidanylidene-2-sulfonato-butanoate",
        "disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonato-butanoate",
        "disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonatobutanoate",
        "disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxidanylidene-2-sulfonato-butanoate",
        "disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonato-butanoate",
        "disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate",
        "disodium;4-keto-4-(octadec-9-enylamino)-2-sulfonato-butyrate",
        "disodium;4-keto-4-[[(Z)-octadec-9-enyl]amino]-2-sulfonato-butyrate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026",
          "CID:6436712"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.055.638",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58353-68-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.068.173",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6436712;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58353-68-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=58353-68-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58353-68-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60889777",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58353-68-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6436712",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6436712;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[58353-68-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/94026",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[58353-68-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82869437",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:94026;CAS:58353-68-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[58353-68-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanoic acid, 4-(9-octadecenylamino)-4-oxosulfo-, disodium salt, (<em>Z</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58353-68-7",
          "https://commonchemistry.cas.org/detail?cas_rn=58353-68-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 4-[(9<em>Z</em>)-9-octadecen-1-ylamino]-4-oxosulfo-, sodium salt (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58353-68-7",
          "https://commonchemistry.cas.org/detail?cas_rn=58353-68-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 4-[(9<em>Z</em>)-9-octadecenylamino]-4-oxosulfo-, disodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58353-68-7",
          "https://commonchemistry.cas.org/detail?cas_rn=58353-68-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium oleylsulfosuccinamate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58353-68-7",
          "https://commonchemistry.cas.org/detail?cas_rn=58353-68-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "58353-68-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/c777c7d4-6fad-48e6-a5f4-85b727d26177",
        "skos:prefLabel": "disodium (z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/c777c7d4-6fad-48e6-a5f4-85b727d26177"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-3246a5fb575aea37"
}