DG(i-19:0/0:0/i-13:0) (CHEBI:170302)

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CHEBI:170302 - DG(i-19:0/0:0/i-13:0)

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ChEBI ID	CHEBI:170302
ChEBI Name	DG(i-19:0/0:0/i-13:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H68O5
Net Charge	0
Average Mass	568.924
Monoisotopic Mass	568.50668
SMILES	CC(C)CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCC(C)C
InChI	InChI=1S/C35H68O5/c1-31(2)25-21-17-13-10-8-6-5-7-9-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1
InChIKey	OLFZHWACUWQAAL-MGBGTMOVSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	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:

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 ).

ChEBI Ontology

Outgoing Relation(s)
	DG(i-19:0/0:0/i-13:0) (CHEBI:170302) is a 1,3-diglyceride (CHEBI:47777)

IUPAC Name
[(2R)-2-hydroxy-3-(11-methyldodecanoyloxy)propyl] 17-methyloctadecanoate

Manual Xrefs	Databases
59692338	ChemSpider
HMDB0093262	HMDB