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CHEBI:185390 - PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))

ChEBI IDCHEBI:185390
ChEBI NamePA(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H81O8P
Net Charge0
Average Mass805.131
Monoisotopic Mass804.56691
SMILESCCCCC/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)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H81O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,35,37,45H,3-10,12,14-16,21-22,24,26-28,30,32-34,36,38-44H2,1-2H3,(H2,50,51,52)/b13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t45-/m1/s1
InChIKeyOGBVNEMIJXSQKJ-CNWUXYNKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) (CHEBI:185390) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0115368HMDB
74877108ChemSpider