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CHEBI:186279 - PA(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186279
ChEBI NamePA(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
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\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)O
InChIInChI=1S/C38H63O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,25,27,36H,3-4,6,8-10,15-16,19,22-24,26,28-35H2,1-2H3,(H2,41,42,43)/b7-5-,13-11-,14-12-,18-17-,21-20-,27-25-/t36-/m1/s1
InChIKeyPZSXUCUWLNOTGE-JNLNPSKUSA-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(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186279) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP10010183LIPID MAPS
113378931ChemSpider