DG(a-15:0/0:0/a-17:0) (CHEBI:170341)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170341 - DG(a-15:0/0:0/a-17:0)

Take structure to advanced search

ChEBI ID	CHEBI:170341
ChEBI Name	DG(a-15:0/0:0/a-17:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H68O5
Net Charge	0
Average Mass	568.924
Monoisotopic Mass	568.50668
SMILES	CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC(C)CC
InChI	InChI=1S/C35H68O5/c1-5-31(3)25-21-17-13-9-7-8-10-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-11-14-18-22-26-32(4)6-2/h31-33,36H,5-30H2,1-4H3/t31?,32?,33-/m0/s1
InChIKey	QGZGSEGNOFWBDX-PJUZOBRJSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	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(a-15:0/0:0/a-17:0) (CHEBI:170341) is a 1,3-diglyceride (CHEBI:47777)

IUPAC Name
[(2S)-2-hydroxy-3-(12-methyltetradecanoyloxy)propyl] 14-methylhexadecanoate

Manual Xrefs	Databases
59692848	ChemSpider
HMDB0093777	HMDB