EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171015 - DG(16:0/0:0/20:1n9)

ChEBI IDCHEBI:171015
ChEBI NameDG(16:0/0:0/20:1n9)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H74O5
Net Charge0
Average Mass623.016
Monoisotopic Mass622.55363
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-36-37(40)35-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,37,40H,3-16,19-36H2,1-2H3/b18-17-/t37-/m1/s1
InChIKeyUYUVZPTTWLXMJG-OTMQOFQLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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:
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(16:0/0:0/20:1n9) (CHEBI:171015) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
74854386ChemSpider
HMDB0056018HMDB