EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230419 - PE(20:1(11Z)/PGJ2)

Default Structure
ChEBI IDCHEBI:230419
ChEBI NamePE(20:1(11Z)/PGJ2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO10P
Net Charge0
Average Mass824.090
Monoisotopic Mass823.53633
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C45H78NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-44(49)53-37-41(38-55-57(51,52)54-36-35-46)56-45(50)30-26-22-21-24-27-39-31-34-43(48)42(39)33-32-40(47)28-23-6-4-2/h12-13,21,24,31-34,39-42,47H,3-11,14-20,22-23,25-30,35-38,46H2,1-2H3,(H,51,52)/b13-12-,24-21-,33-32+/t39-,40-,41+,42+/m0/s1
InChIKeyWYMGQEUTUHHRBV-CEPCMAMVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(20:1(11Z)/PGJ2) (CHEBI:230419) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
128426281ChemSpider
HMDB0261954HMDB