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CHEBI:169091 - PA(8:0/i-14:0)

ChEBI IDCHEBI:169091
ChEBI NamePA(8:0/i-14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H49O8P
Net Charge0
Average Mass508.633
Monoisotopic Mass508.31651
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC(C)C
InChIInChI=1S/C25H49O8P/c1-4-5-6-11-15-18-24(26)31-20-23(21-32-34(28,29)30)33-25(27)19-16-13-10-8-7-9-12-14-17-22(2)3/h22-23H,4-21H2,1-3H3,(H2,28,29,30)/t23-/m1/s1
InChIKeySLVOCLYNHWBMJO-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(8:0/i-14:0) (CHEBI:169091) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 12-methyltridecanoate
Manual XrefsDatabases
HMDB0115687HMDB
74877425ChemSpider