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CHEBI:185452 - PA(19:1(9Z)/22:1(11Z))

ChEBI IDCHEBI:185452
ChEBI NamePA(19:1(9Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H83O8P
Net Charge0
Average Mass771.114
Monoisotopic Mass770.58256
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C44H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h20-22,24,42H,3-19,23,25-41H2,1-2H3,(H2,47,48,49)/b22-21-,24-20-/t42-/m1/s1
InChIKeySNFMQJFLTMSKCE-XCEALIJMSA-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(19:1(9Z)/22:1(11Z)) (CHEBI:185452) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010505LIPID MAPS
113379139ChemSpider