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CHEBI:230620 - PA(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

ChEBI IDCHEBI:230620
ChEBI NamePA(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53O11P
Net Charge0
Average Mass632.728
Monoisotopic Mass632.33255
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C31H53O11P/c1-3-5-7-10-16-22-30(35)40-24-27(25-41-43(37,38)39)42-31(36)23-17-21-29(34)28(33)20-15-12-9-8-11-14-19-26(32)18-13-6-4-2/h8-9,11-12,14-15,19-20,26-29,32-34H,3-7,10,13,16-18,21-25H2,1-2H3,(H2,37,38,39)/b11-8-,12-9+,19-14+,20-15+/t26-,27+,28-,29-/m0/s1
InChIKeyOEIMOLHUHFGIEY-BNJJSGRXSA-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(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) (CHEBI:230620) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] (5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate
Manual XrefsDatabases
117222057ChemSpider
HMDB0266627HMDB