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CHEBI:186111 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

ChEBI IDCHEBI:186111
ChEBI NamePA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H67O8P
Net Charge0
Average Mass718.953
Monoisotopic Mass718.45736
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C41H67O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24-25,29,31,39H,3-4,6,8-10,12,15,19,22-23,26-28,30,32-38H2,1-2H3,(H2,44,45,46)/b7-5-,13-11-,16-14-,18-17-,21-20-,25-24-,31-29-/t39-/m1/s1
InChIKeyRELOXVIBJGOZSR-FWAVHOIPSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (CHEBI:186111) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74877145ChemSpider
HMDB0115405HMDB
LMGP10010822LIPID MAPS