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CHEBI:168488 - DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]

Default Structure
ChEBI IDCHEBI:168488
ChEBI NameDG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O5
Net Charge0
Average Mass574.887
Monoisotopic Mass574.45973
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCC
InChIInChI=1S/C36H62O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,34,37H,3-4,6,8-10,15-16,19-33H2,1-2H3/b7-5-,13-11-,14-12-,18-17-/t34-/m0/s1
InChIKeyXXWMFMSFEDQPDK-UIWGRZGKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] (CHEBI:168488) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
LMGL02010458LIPID MAPS