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CHEBI:136814 - 1,3-dioctanoylglycerol

ChEBI IDCHEBI:136814
ChEBI Name1,3-dioctanoylglycerol
Stars
DefinitionA 1,3-diglyceride in which both acyl groups are specified as octanoyl.
Last Modified16 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC19H36O5
Net Charge0
Average Mass344.492
Monoisotopic Mass344.25627
SMILESCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
InChIInChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
InChIKeyDMBAVJVECSKEPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Application:
excipient  A generally pharmacologically inactive substance that is formulated with the active ingredient of a medication.
ChEBI Ontology
Outgoing Relation(s)
1,3-dioctanoylglycerol (CHEBI:136814) has functional parent octanoic acid (CHEBI:28837)
1,3-dioctanoylglycerol (CHEBI:136814) has role Brassica napus metabolite (CHEBI:140165)
1,3-dioctanoylglycerol (CHEBI:136814) has role excipient (CHEBI:75324)
1,3-dioctanoylglycerol (CHEBI:136814) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
2-hydroxypropane-1,3-diyl dioctanoate
Synonyms  Source
1,3-DicapryloylglycerolChemIDplus
1,3-dicaprylinChEBI
DAG(8:0/0:0/8:0)HMDB
DG(8:0/0:0/8:0)HMDB
diacylglycerol (8:0/0:0/8:0)HMDB
Manual XrefsDatabases
HMDB0092900HMDB
CPD0-1815MetaCyc
Registry NumbersSources
Reaxys:1801556Reaxys
CAS:1429-66-9ChemIDplus
Citations