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CHEBI:187326 - PA(P-16:0/17:2(9Z,12Z))

ChEBI IDCHEBI:187326
ChEBI NamePA(P-16:0/17:2(9Z,12Z))
Stars
Last Modified29 May 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H67O7P
Net Charge0
Average Mass642.899
Monoisotopic Mass642.46244
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C36H67O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(37)43-35(34-42-44(38,39)40)33-41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,30,32,35H,3-8,10,12-14,16,18-29,31,33-34H2,1-2H3,(H2,38,39,40)/b11-9-,17-15-,32-30-/t35-/m1/s1
InChIKeySDJPJXUYYJHYFI-REFKTWKYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PA(P-16:0/17:2(9Z,12Z)) (CHEBI:187326) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual XrefsDatabases
LMGP10030011LIPID MAPS
113379413ChemSpider