DG(13:0/21:0/0:0)[iso2] (CHEBI:196645)

CHEBI:196645 - DG(13:0/21:0/0:0)[iso2]

Formula	C37H72O5
Net Charge	0
Average Mass	596.978
Monoisotopic Mass	596.53798
SMILES	CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC
InChI	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
InChIKey	QCLNBCFJPBWNKP-DHUJRADRSA-N

Roles Classification

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	DG(13:0/21:0/0:0)[iso2] (CHEBI:196645) is a 1,2-diglyceride (CHEBI:49172)

IUPAC Name
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] henicosanoate