DG(i-19:0/a-13:0/0:0) (CHEBI:170308)

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CHEBI:170308 - DG(i-19:0/a-13:0/0:0)

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ChEBI ID	CHEBI:170308
ChEBI Name	DG(i-19:0/a-13:0/0:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H68O5
Net Charge	0
Average Mass	568.924
Monoisotopic Mass	568.50668
SMILES	CCC(C)CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC(C)C
InChI	InChI=1S/C35H68O5/c1-5-32(4)26-22-18-15-16-20-24-28-35(38)40-33(29-36)30-39-34(37)27-23-19-14-12-10-8-6-7-9-11-13-17-21-25-31(2)3/h31-33,36H,5-30H2,1-4H3/t32?,33-/m0/s1
InChIKey	PPIFFPXHWKLDIX-OBOZPERJSA-N

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

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-19:0/a-13:0/0:0) (CHEBI:170308) is a 1,2-diglyceride (CHEBI:49172)

IUPAC Name
[(2S)-3-hydroxy-2-(10-methyldodecanoyloxy)propyl] 17-methyloctadecanoate

Manual Xrefs	Databases
HMDB0094017	HMDB
74858492	ChemSpider