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CHEBI:187265 - PA(12:0/17:2(9Z,12Z))

ChEBI IDCHEBI:187265
ChEBI NamePA(12:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H59O8P
Net Charge0
Average Mass602.790
Monoisotopic Mass602.39476
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C32H59O8P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(34)40-30(29-39-41(35,36)37)28-38-31(33)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,30H,3-8,10,12-13,16-29H2,1-2H3,(H2,35,36,37)/b11-9-,15-14-/t30-/m1/s1
InChIKeyYPZSTAAQNZFGRR-YRGPPRKWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(12:0/17:2(9Z,12Z)) (CHEBI:187265) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual XrefsDatabases
113378841ChemSpider
LMGP10010050LIPID MAPS