Consensus flow list

Sorbitan, Trioctadecanoate

92ca4263-2d54-4351-9a71-dd227687015c

Identity

Substance
fo-c86cbd3acef00b25 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Ocean
CAS
26658-19-5
EC
247-891-4

Context

Dimension
Environmental
Media
Water
Water body
Ocean

Alternative labels

29

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 92ca4263-2d54-4351-9a71-dd227687015c sorbitan, trioctadecanoate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 92ca4263-2d54-4351-9a71-dd227687015c sorbitan, trioctadecanoate Emissions/Emissions to water/Emissions to sea water exactMatch —

Characterisation factors

8

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 1.2310e-37 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 1.2310e-37 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 1.2310e-37 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 1.2310e-37 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer — 4.2405e-17 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer — 4.2405e-17 sole
EF 3.1 European Commission — JRC Human toxicity, non-cancer_organics — 4.2405e-17 —
EF 3.1 consensus-flow-list Human toxicity, non-cancer_organics — 4.2405e-17 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
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        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3",
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m0/s1",
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1",
        "InChI=1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3"
      ],
      "attested_by": {
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m0/s1": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3": [
          "enrich_references.pubchem_semantic"
        ],
        "InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:hadPrimarySource": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]-2-octadecanoyloxy-ethyl] octadecanoate",
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate",
        "[(2R)-2-octadecanoyloxy-2-[(2R,3R,4S)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]ethyl] octadecanoate",
        "[(3R,4S,5S)-4-octadecanoyloxy-5-[(1S)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate",
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate",
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate",
        "[(3S,4R,5R)-4-octadecanoyloxy-5-[(1R)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate",
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate",
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate",
        "[2,3,5-trihydroxy-4,6-di(octadecanoyloxy)hexyl] octadecanoate",
        "[2-(4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate",
        "[2-(4-hydroxy-3-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-oxidanyl-ethyl] octadecanoate",
        "[2-[3,4-di(octadecanoyloxy)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] octadecanoate",
        "[2-octadecanoyloxy-2-(3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl)ethyl] octadecanoate",
        "[4,6-di(octadecanoyloxy)-2,3,5-tris(oxidanyl)hexyl] octadecanoate",
        "octadecanoic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester",
        "octadecanoic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester",
        "octadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester",
        "octadecanoic acid [2,3,5-trihydroxy-4,6-bis(1-oxooctadecoxy)hexyl] ester",
        "octadecanoic acid [2-[3,4-bis(1-oxooctadecoxy)-2-oxolanyl]-2-hydroxyethyl] ester",
        "octadecanoic acid [2-[4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester",
        "stearic acid (2,3,5-trihydroxy-4,6-distearoyloxy-hexyl) ester",
        "stearic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl]-2-stearoyloxy-ethyl] ester",
        "stearic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester",
        "stearic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester",
        "stearic acid [2-(3,4-distearoyloxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] ester",
        "stearic acid [2-(4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl)-2-stearoyloxy-ethyl] ester"
      ],
      "attested_by": {
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl]-2-octadecanoyloxy-ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(2R)-2-octadecanoyloxy-2-[(2R,3R,4S)-3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl]ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-4-octadecanoyloxy-5-[(1S)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3R,4S,5S)-5-[(1S)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-4-octadecanoyloxy-5-[(1R)-1-octadecanoyloxy-2-oxidanyl-ethyl]oxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxy-ethyl]-4-octadecanoyloxy-tetrahydrofuran-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]-4-octadecanoyloxyoxolan-3-yl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2,3,5-trihydroxy-4,6-di(octadecanoyloxy)hexyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-(4-hydroxy-3-octadecanoyloxy-tetrahydrofuran-2-yl)-2-octadecanoyloxy-ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-(4-hydroxy-3-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-[3,4-di(octadecanoyloxy)oxolan-2-yl]-2-oxidanyl-ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-[3,4-di(octadecanoyloxy)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[2-octadecanoyloxy-2-(3-octadecanoyloxy-4-oxidanyl-oxolan-2-yl)ethyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "[4,6-di(octadecanoyloxy)-2,3,5-tris(oxidanyl)hexyl] octadecanoate": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxooctadecoxy)ethyl]-4-(1-oxooctadecoxy)-3-oxolanyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [2,3,5-trihydroxy-4,6-bis(1-oxooctadecoxy)hexyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [2-[3,4-bis(1-oxooctadecoxy)-2-oxolanyl]-2-hydroxyethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "octadecanoic acid [2-[4-hydroxy-3-(1-oxooctadecoxy)-2-oxolanyl]-2-(1-oxooctadecoxy)ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid (2,3,5-trihydroxy-4,6-distearoyloxy-hexyl) ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid [(2R)-2-[(2R,3R,4S)-4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl]-2-stearoyloxy-ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid [(3R,4S,5S)-5-[(1S)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-stearoyloxy-ethyl]-4-stearoyloxy-tetrahydrofuran-3-yl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid [2-(3,4-distearoyloxytetrahydrofuran-2-yl)-2-hydroxy-ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ],
        "stearic acid [2-(4-hydroxy-3-stearoyloxy-tetrahydrofuran-2-yl)-2-stearoyloxy-ethyl] ester": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
      "rdfs:label": "isomeric smiles string",
      "@value": [
        "CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC",
        "CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CO[C@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC",
        "CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC"
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