EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186861 - PA(20:1(11Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:186861
ChEBI NamePA(20:1(11Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O8P
Net Charge0
Average Mass783.125
Monoisotopic Mass782.58256
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H83O8P/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/h11,13,17-20,43H,3-10,12,14-16,21-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,20-18-/t43-/m1/s1
InChIKeyWYJZESSPYICDLV-JLPGKHPDSA-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(20:1(11Z)/22:2(13Z,16Z)) (CHEBI:186861) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10010553LIPID MAPS
HMDB0115111HMDB
74876853ChemSpider