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CHEBI:230821 - PA(20:4(5Z,8Z,11Z,14Z)/15:0)

ChEBI IDCHEBI:230821
ChEBI NamePA(20:4(5Z,8Z,11Z,14Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67O8P
Net Charge0
Average Mass682.920
Monoisotopic Mass682.45736
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H67O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,36H,3-10,12,14-16,19,22-23,25,27-35H2,1-2H3,(H2,41,42,43)/b13-11-,18-17-,21-20-,26-24-/t36-/m1/s1
InChIKeyXULSQBOLCNYYOZ-BVCDQDBVSA-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(20:4(5Z,8Z,11Z,14Z)/15:0) (CHEBI:230821) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
74876888ChemSpider
HMDB0115146HMDB
LMGP10010622LIPID MAPS