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CHEBI:196839 - PA(20:1(11Z)/21:0)

ChEBI IDCHEBI:196839
ChEBI NamePA(20:1(11Z)/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85O8P
Net Charge0
Average Mass773.130
Monoisotopic Mass772.59821
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,42H,3-17,19,21-41H2,1-2H3,(H2,47,48,49)/b20-18-/t42-/m1/s1
InChIKeyDCXRFEFUPNLDDG-PEBSJOBXSA-N
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)/21:0) (CHEBI:196839) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP10010550LIPID MAPS
113379156ChemSpider