Propane-1,2,3-triyl Triheptanoate
fo-b9c1de2d1518bb58
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
Alternative labels
12- Dermofeel TC 7
- Dojolvi
- Glycerol triheptanoate
- Glyceryl triheptanoate
- Heptanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
- Heptanoic acid, 1,2,3-propanetriyl ester
- Heptanoin, tri-
- Lanol 37T
- Trienanthoin
- Triheptanoic glyceride
- Triheptanoin
- Trioenanthoin
Properties
| Property | Value |
|---|---|
| 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
18Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works