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CHEBI:230879 - PA(20:1(11Z)/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:230879
ChEBI NamePA(20:1(11Z)/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77O9P
Net Charge0
Average Mass769.054
Monoisotopic Mass768.53052
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(O)/C=C/C=C/C/C=C/CCCCCCCC
InChIInChI=1S/C43H77O9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-42(45)50-38-41(39-51-53(47,48)49)52-43(46)37-33-35-40(44)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,21,23,27,29,31,34,40-41,44H,3-16,19-20,22,24-26,28,30,32-33,35-39H2,1-2H3,(H2,47,48,49)/b18-17-,23-21+,29-27+,34-31+/t40?,41-/m1/s1
InChIKeyDLLVAXHGLSQIKZ-QKPDISQLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)/20:3(6,8,11)-OH(5)) (CHEBI:230879) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual XrefsDatabases
HMDB0264818HMDB
117220564ChemSpider