No PROV-O consensus activities found for this flow.
{
"uuid": "e90a182b-841f-4641-b917-c418d057edd3",
"name": null,
"cas_numbers": [
"25151-96-6"
],
"ec_numbers": [
"246-665-2"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [],
"source": "EF 3.1",
"identifier": "e90a182b-841f-4641-b917-c418d057edd3",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "e90a182b-841f-4641-b917-c418d057edd3",
"source_flow_name": "fatty acid c18 unsat ester with pentaerytritol",
"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": "Fatty Acid C18 Unsat Ester With Pentaerytritol",
"@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": [
"C41H76O6",
"C41H80O8",
"C41H84O8"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361",
"CID:6436590",
"CID:9809915",
"CID:53446309",
"CID:77519178",
"CID:86676465"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BJXXCOMGRRCAGN-CLFAGFIQSA-N",
"BJXXCOMGRRCAGN-UHFFFAOYSA-N",
"BJXXCOMGRRCAGN-XPWSMXQVSA-N",
"CFKKYVMRMWYVOV-UHFFFAOYSA-N",
"RCWUXKXEWJVOAO-CVBJKYQLSA-N",
"RCWUXKXEWJVOAO-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361",
"CID:6436590",
"CID:9809915",
"CID:53446309",
"CID:77519178",
"CID:86676465"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)(CO)CO",
"CCCCCCCC/C=C\\CCCCCCCC(=O)O.CCCCCCCC/C=C\\CCCCCCCC(=O)O.C(O)C(CO)(CO)CO",
"CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCC)(CO)CO",
"CCCCCCCCC=C.CCCCCCCCC=C.CCCCCCCC(=O)O.CCCCCCCC(=O)O.C(C(CO)(CO)CO)O",
"CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(C(CO)(CO)CO)O",
"CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361",
"CID:6436590",
"CID:9809915",
"CID:53446309",
"CID:77519178",
"CID:86676465"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2C10H20.2C8H16O2.C5H12O4/c2*1-3-5-7-9-10-8-6-4-2;2*1-2-3-4-5-6-7-8(9)10;6-1-5(2-7,3-8)4-9/h2*3H,1,4-10H2,2H3;2*2-7H2,1H3,(H,9,10);6-9H,1-4H2",
"InChI=1S/2C18H34O2.C5H12O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-1-5(2-7,3-8)4-9/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);6-9H,1-4H2",
"InChI=1S/2C18H34O2.C5H12O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-1-5(2-7,3-8)4-9/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);6-9H,1-4H2/b2*10-9-;",
"InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3",
"InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+",
"InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17-,20-18-"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361",
"CID:6436590",
"CID:9809915",
"CID:53446309",
"CID:77519178",
"CID:86676465"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(E)-9-octadecenoic acid [2,2-bis(hydroxymethyl)-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester",
"(E)-octadec-9-enoic acid [2,2-dimethylol-3-[(E)-octadec-9-enoyl]oxy-propyl] ester",
"(Z)-9-octadecenoic acid [2,2-bis(hydroxymethyl)-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester",
"(Z)-octadec-9-enoic acid [2,2-dimethylol-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis((Z)-9-octadecenoic acid)",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis((Z)-octadec-9-enoic acid)",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis(1-decene);bis(octanoic acid)",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis(9-octadecenoic acid)",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis(dec-1-ene);bis(octanoic acid)",
"2,2-bis(hydroxymethyl)propane-1,3-diol;bis(octadec-9-enoic acid)",
"2,2-dimethylolpropane-1,3-diol;bis(octadec-9-enoic acid)",
"2,2-dimethylolpropane-1,3-diol;oleic acid",
"9-octadecenoic acid [2,2-bis(hydroxymethyl)-3-(1-oxooctadec-9-enoxy)propyl] ester",
"[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate",
"[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate",
"[2,2-bis(hydroxymethyl)-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate",
"[2,2-bis(hydroxymethyl)-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate",
"[2,2-bis(hydroxymethyl)-3-octadec-9-enoyloxy-propyl] octadec-9-enoate",
"[2,2-bis(hydroxymethyl)-3-octadec-9-enoyloxypropyl] octadec-9-enoate",
"caprylic acid;bis(dec-1-ene);2,2-dimethylolpropane-1,3-diol",
"octadec-9-enoic acid (2,2-dimethylol-3-octadec-9-enoyloxy-propyl) ester"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361",
"CID:6436590",
"CID:9809915",
"CID:53446309",
"CID:77519178",
"CID:86676465"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.870C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9809915;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.042.408",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25151-96-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9809915;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4067060",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6436590;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9Z47CC098O",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9809915;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3034361",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53446309",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:53446309;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6436590",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6436590;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77519178",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77519178;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/86676465",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:86676465;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9809915",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9809915;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25151-96-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126611621",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034361;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27273402",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9809915;CAS:25151-96-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25151-96-6]"
}
}
],
"altLabel": [
{
"@value": "(<em>Z</em>)-9-Octadecenoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] di-(9<em>Z</em>)-9-octadecenoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9-Octadecenoic acid (9<em>Z</em>)-, 1,1′-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9-Octadecenoic acid (9<em>Z</em>)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9-Octadecenoic acid (<em>Z</em>)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Oleic acid, 2,2-bis(hydroxymethyl)trimethylene ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentaerythritol, dioleate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentaerythrityl dioleate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25151-96-6",
"https://commonchemistry.cas.org/detail?cas_rn=25151-96-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"25151-96-6": "exactMatch"
},
"http://www.w3.org/2002/07/owl#deprecated": true,
"http://purl.org/dc/terms/isReplacedBy": "urn:uuid:5085be31-6964-41a9-821a-ddc2315250e0",
"is_replaced_by_uuid": "5085be31-6964-41a9-821a-ddc2315250e0",
"flow_object_id": "fo-7fea200eab970f34"
}