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CHEBI:187991 - DG(13:0/18:2(9Z,12Z)/0:0)[iso2]

Default Structure
ChEBI IDCHEBI:187991
ChEBI NameDG(13:0/18:2(9Z,12Z)/0:0)[iso2]
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H62O5
Net Charge0
Average Mass550.865
Monoisotopic Mass550.45973
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC
InChIInChI=1S/C34H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-14-12-10-8-6-4-2/h11,13,16-17,32,35H,3-10,12,14-15,18-31H2,1-2H3/b13-11-,17-16-/t32-/m0/s1
InChIKeyHDAUCJLPCSEZAQ-ILFYFWIOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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(13:0/18:2(9Z,12Z)/0:0)[iso2] (CHEBI:187991) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
113371345ChemSpider
LMGL02010361LIPID MAPS