DG(i-20:0/i-12:0/0:0) (CHEBI:170280)

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CHEBI:170280 - DG(i-20:0/i-12:0/0:0)

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ChEBI ID	CHEBI:170280
ChEBI Name	DG(i-20:0/i-12:0/0:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H68O5
Net Charge	0
Average Mass	568.924
Monoisotopic Mass	568.50668
SMILES	CC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C
InChI	InChI=1S/C35H68O5/c1-31(2)25-21-17-13-11-9-7-5-6-8-10-12-14-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-15-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1
InChIKey	KRQMATMONQTCKW-XIFFEERXSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090)	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)	Strain: C57BL/6J [EFO:0000606]

Roles Classification

Biological Roles:

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(i-20:0/i-12:0/0:0) (CHEBI:170280) is a 1,2-diglyceride (CHEBI:49172)

IUPAC Name
[(2S)-3-hydroxy-2-(10-methylundecanoyloxy)propyl] 18-methylnonadecanoate

Manual Xrefs	Databases
HMDB0094129	HMDB
74858544	ChemSpider