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CHEBI:186464 - PA(13:0/18:2(9Z,12Z))

ChEBI IDCHEBI:186464
ChEBI NamePA(13:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H63O8P
Net Charge0
Average Mass630.844
Monoisotopic Mass630.42606
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C34H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-20-14-12-10-8-6-4-2/h11,13,16-17,32H,3-10,12,14-15,18-31H2,1-2H3,(H2,37,38,39)/b13-11-,17-16-/t32-/m1/s1
InChIKeyOFMOJPBZEDGABH-HZQBHUIPSA-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(13:0/18:2(9Z,12Z)) (CHEBI:186464) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP10010076LIPID MAPS
113378867ChemSpider