1,3-dioctanoylglycerol (CHEBI:136814)

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ChEBI Name	1,3-dioctanoylglycerol

ChEBI ID	CHEBI:136814

Definition	A 1,3-diglyceride in which both acyl groups are specified as octanoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C19H36O5

Net Charge

Average Mass

344.487

Monoisotopic Mass

344.25627

InChI

InChI=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

InChIKey

DMBAVJVECSKEPF-UHFFFAOYSA-N

SMILES

O(C(=O)CCCCCCC)CC(O)COC(=O)CCCCCCC

Roles Classification
Biological Role(s):	Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). (via diglyceride ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via diglyceride )

Application(s):	excipient A generally pharmacologically inactive substance that is formulated with the active ingredient of a medication.

ChEBI Ontology
Outgoing	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

Last Modified

16 April 2018