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CHEBI:230731 - PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)

ChEBI IDCHEBI:230731
ChEBI NamePA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H51O11P
Net Charge0
Average Mass630.712
Monoisotopic Mass630.31690
SMILESCC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@H](O)[C@@H](O)CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
InChIInChI=1S/C31H51O11P/c1-3-5-7-10-16-22-31(36)42-27(25-41-43(37,38)39)24-40-30(35)23-17-21-29(34)28(33)20-15-12-9-8-11-14-19-26(32)18-13-6-4-2/h6,8-9,11-15,19-20,26-29,32-34H,3-5,7,10,16-18,21-25H2,1-2H3,(H2,37,38,39)/b11-8+,12-9-,13-6-,19-14+,20-15-/t26-,27-,28+,29+/m1/s1
InChIKeyDMPGMCAAQDLCQZ-GYDDLRETSA-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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0) (CHEBI:230731) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
HMDB0266658HMDB
117222086ChemSpider