EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186364 - PA(22:2(13Z,16Z)/20:0)

ChEBI IDCHEBI:186364
ChEBI NamePA(22:2(13Z,16Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O8P
Net Charge0
Average Mass785.141
Monoisotopic Mass784.59821
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H85O8P/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/h11,13,17,19,43H,3-10,12,14-16,18,20-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-/t43-/m1/s1
InChIKeyXMFHGPUADDWLIC-MTFJKWJPSA-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)/20:0) (CHEBI:186364) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10010774LIPID MAPS
HMDB0115308HMDB
74877048ChemSpider