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CHEBI:185702 - PA(20:0/22:0)

ChEBI IDCHEBI:185702
ChEBI NamePA(20:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H89O8P
Net Charge0
Average Mass789.173
Monoisotopic Mass788.62951
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H89O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3,(H2,48,49,50)/t43-/m1/s1
InChIKeyURIYDEYHGMHXGX-VZUYHUTRSA-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(20:0/22:0) (CHEBI:185702) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] docosanoate
Manual XrefsDatabases
74876824ChemSpider
LMGP10010948LIPID MAPS
HMDB0115082HMDB