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CHEBI:185633 - PA(13:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185633
ChEBI NamePA(13:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H61O8P
Net Charge0
Average Mass652.850
Monoisotopic Mass652.41041
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C36H61O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,23,25,34H,3-4,6,8-10,12,14-15,18,21-22,24,26-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,17-16-,20-19-,25-23-/t34-/m1/s1
InChIKeyAVZTWFACYDFSAZ-MHEMRFEWSA-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(13:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185633) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP10010085LIPID MAPS
113378876ChemSpider