CHEBI:178276 - DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)

ChEBI IDCHEBI:178276
ChEBI NameDG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O5
Net Charge0
Average Mass612.936
Monoisotopic Mass612.47538
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m0/s1
InChIKeyJVRVKOOOXHGJKI-ITLZUPGPSA-N
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(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) (CHEBI:178276) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
[(2S)-3-hydroxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
LMGL02010328LIPID MAPS
HMDB0007278HMDB
24766028ChemSpider