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CHEBI:186167 - PA(20:1(11Z)/22:1(11Z))

ChEBI IDCHEBI:186167
ChEBI NamePA(20:1(11Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O8P
Net Charge0
Average Mass785.141
Monoisotopic Mass784.59821
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C45H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20-22,43H,3-17,19,23-42H2,1-2H3,(H2,48,49,50)/b20-18-,22-21-/t43-/m1/s1
InChIKeyNMFLYULUKLHLNV-ROEQEVMCSA-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(20:1(11Z)/22:1(11Z)) (CHEBI:186167) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010552LIPID MAPS
113379157ChemSpider