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CHEBI:169134 - DG(8:0/a-13:0/0:0)

ChEBI IDCHEBI:169134
ChEBI NameDG(8:0/a-13:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H46O5
Net Charge0
Average Mass414.627
Monoisotopic Mass414.33452
SMILESCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)CC
InChIInChI=1S/C24H46O5/c1-4-6-7-10-14-17-23(26)28-20-22(19-25)29-24(27)18-15-12-9-8-11-13-16-21(3)5-2/h21-22,25H,4-20H2,1-3H3/t21?,22-/m0/s1
InChIKeyHMXRXOXNFHVCIP-KEKNWZKVSA-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(8:0/a-13:0/0:0) (CHEBI:169134) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] 10-methyldodecanoate
Manual XrefsDatabases
HMDB0092911HMDB
74857962ChemSpider