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CHEBI:185668 - PA(22:4(7Z,10Z,13Z,16Z)/20:0)

ChEBI IDCHEBI:185668
ChEBI NamePA(22:4(7Z,10Z,13Z,16Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H81O8P
Net Charge0
Average Mass781.109
Monoisotopic Mass780.56691
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H81O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,43H,3-10,12,14-16,18,20-21,23,25-26,28,30-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,24-22-,29-27-/t43-/m1/s1
InChIKeyMUEBDYWOXMBFEM-SIVGRLSKSA-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(22:4(7Z,10Z,13Z,16Z)/20:0) (CHEBI:185668) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0115334HMDB
LMGP10010805LIPID MAPS
74877074ChemSpider