DG(i-16:0/16:0/0:0) (CHEBI:170339)

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CHEBI:170339 - DG(i-16:0/16:0/0:0)

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ChEBI ID	CHEBI:170339
ChEBI Name	DG(i-16:0/16:0/0:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H68O5
Net Charge	0
Average Mass	568.924
Monoisotopic Mass	568.50668
SMILES	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC(C)C
InChI	InChI=1S/C35H68O5/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1
InChIKey	ZZWVBZYJQRUUEX-XIFFEERXSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	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-16:0/16:0/0:0) (CHEBI:170339) is a 1,2-diglyceride (CHEBI:49172)

IUPAC Name
[(2S)-1-hydroxy-3-(14-methylpentadecanoyloxy)propan-2-yl] hexadecanoate

Manual Xrefs	Databases
HMDB0093642	HMDB
74858315	ChemSpider