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CHEBI:187789 - PA(22:2(13Z,16Z)/15:0)

ChEBI IDCHEBI:187789
ChEBI NamePA(22:2(13Z,16Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H75O8P
Net Charge0
Average Mass715.006
Monoisotopic Mass714.51996
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H75O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-37H2,1-2H3,(H2,43,44,45)/b13-11-,18-17-/t38-/m1/s1
InChIKeyNRNLKXOYZYFYEY-XGKJNDTMSA-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(22:2(13Z,16Z)/15:0) (CHEBI:187789) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
74877038ChemSpider
LMGP10010759LIPID MAPS
HMDB0115298HMDB