Consensus flow list

Identity

Type
Neutral molecule
CAS
620-67-7
EC
210-647-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propane-1,2,3-triyl Triheptanoate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PJHKBYALYHRYSK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
IUPAC name chemrof:IUPAC_name Propane-1,2,3-triyl Triheptanoate
Molecular formula chemrof:molecular_formula C24H44O6
Molecular mass chemrof:molecular_mass 428.61
Monoisotopic mass chemrof:monoisotopic_mass 428.313789
SMILES string chemrof:smiles_string CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

Known URLs

18

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=620-67-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.681 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40862306 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11677 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/5399 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4297585 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2P6O7CFW5K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259217 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.997J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D11465 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152794 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C166587 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166350462 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL4297585 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69286 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1313234 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q414576 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triheptanoin enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d5f7ec3-bc64-49ea-808e-ad9e88588000 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0e2dc36d-3a44-4fa4-815b-fc0e284af3b4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
71f4539e-51c9-45de-b79d-193e400a974e Environmental → Air → Indoor EF 3.1 kg 2
eb64c4a0-c6c2-43bb-938c-1f454ac3af85 Environmental → Air → Long-term EF 3.1 kg 0
15e25e2d-ca71-4b46-bbb0-9d9139f140dd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d37f6617-1922-4221-abc7-7fe9ff5964d7 Environmental → Air → Unknown EF 3.1 kg 2
85eb5d13-dd4c-4b31-980f-2af319b2448c Environmental → Ground → Agricultural EF 3.1 kg 2
a544069c-9b31-43c7-8ae3-34be7502196c Environmental → Ground → Non-agricultural EF 3.1 kg 2
f44f6d0c-bb96-4581-947f-da34b2267ad2 Environmental → Ground → Unknown EF 3.1 kg 2
05293cc5-8688-4f59-8265-0969bdb32d98 Environmental → Water → Long-term EF 3.1 kg 0
fe663a3b-b3d0-4cd0-93ed-8fc45d557a1f Environmental → Water → Ocean EF 3.1 kg 2
a5992fba-a301-4d4f-b445-4f287e06184e Environmental → Water → Surface water EF 3.1 kg 2
83bd28d2-decc-41dd-8f66-275d54bd5dce Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b9c1de2d1518bb58",
  "prefLabel": [
    {
      "@value": "Propane-1,2,3-triyl Triheptanoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Dermofeel TC 7",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Dojolvi",
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      }
    },
    {
      "@value": "Glycerol triheptanoate",
      "@language": "en",
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    },
    {
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      }
    },
    {
      "@value": "Heptanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester",
      "@language": "en",
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    },
    {
      "@value": "Heptanoic acid, 1,2,3-propanetriyl ester",
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      }
    },
    {
      "@value": "Heptanoin, tri-",
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    },
    {
      "@value": "Lanol 37T",
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    },
    {
      "@value": "Trienanthoin",
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    },
    {
      "@value": "Triheptanoic glyceride",
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    },
    {
      "@value": "Triheptanoin",
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    },
    {
      "@value": "Trioenanthoin",
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  "properties": {
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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