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CHEBI:185385 - PA(15:0/22:2(13Z,16Z))

ChEBI IDCHEBI:185385
ChEBI NamePA(15:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H75O8P
Net Charge0
Average Mass715.006
Monoisotopic Mass714.51996
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C40H75O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37H2,1-2H3,(H2,43,44,45)/b13-11-,18-17-/t38-/m1/s1
InChIKeyAUGHPTXZMAWCOH-XGKJNDTMSA-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(15:0/22:2(13Z,16Z)) (CHEBI:185385) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10010156LIPID MAPS
74876593ChemSpider
HMDB0114826HMDB