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CHEBI:186513 - PA(18:2(9Z,12Z)/14:0)

ChEBI IDCHEBI:186513
ChEBI NamePA(18:2(9Z,12Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H65O8P
Net Charge0
Average Mass644.871
Monoisotopic Mass644.44171
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H65O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,33H,3-10,12,14-15,18-32H2,1-2H3,(H2,38,39,40)/b13-11-,17-16-/t33-/m1/s1
InChIKeyFOJQIERYVYLJMZ-PNMFJBQASA-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(18:2(9Z,12Z)/14:0) (CHEBI:186513) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP10010340LIPID MAPS
HMDB0114946HMDB
74876696ChemSpider