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CHEBI:185731 - PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185731
ChEBI NamePA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H63O8P
Net Charge0
Average Mass678.888
Monoisotopic Mass678.42606
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C38H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,36H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-35H2,1-2H3,(H2,41,42,43)/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t36-/m1/s1
InChIKeyPXAYRWQRVAJZIB-GCTGPZEFSA-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(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185731) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP10010090LIPID MAPS
113378881ChemSpider