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CHEBI:187527 - PA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:187527
ChEBI NamePA(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69O8P
Net Charge0
Average Mass744.991
Monoisotopic Mass744.47301
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C43H69O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41H,3-5,7,9-10,15-16,20,24-25,30-40H2,1-2H3,(H2,46,47,48)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-/m1/s1
InChIKeyLZNAYIAOAIAUJH-CAEATIGQSA-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(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187527) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP10010452LIPID MAPS
74876792ChemSpider
HMDB0115048HMDB