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CHEBI:186824 - PA(22:4(7Z,10Z,13Z,16Z)/17:0)

ChEBI IDCHEBI:186824
ChEBI NamePA(22:4(7Z,10Z,13Z,16Z)/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H75O8P
Net Charge0
Average Mass739.028
Monoisotopic Mass738.51996
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H75O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25-26,40H,3-10,12,14-16,18,20,23-24,27-39H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-,22-21-,26-25-/t40-/m1/s1
InChIKeyIUTLQQRTNMJKMJ-CFGGMTNXSA-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)/17:0) (CHEBI:186824) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
113379266ChemSpider
LMGP10010794LIPID MAPS