EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187358 - PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:187358
ChEBI NamePA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H77O8P
Net Charge0
Average Mass777.077
Monoisotopic Mass776.53561
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChIInChI=1S/C45H77O8P/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/h11-14,17-20,22,24,28,30,43H,3-10,15-16,21,23,25-27,29,31-42H2,1-2H3,(H2,48,49,50)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t43-/m1/s1
InChIKeySEDWKTZJSXDENV-DRBQCQBHSA-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(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187358) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP10010585LIPID MAPS
HMDB0115554HMDB
74877292ChemSpider