EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230356 - PE(24:0/PGE2)

ChEBI IDCHEBI:230356
ChEBI NamePE(24:0/PGE2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H90NO11P
Net Charge0
Average Mass900.229
Monoisotopic Mass899.62515
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C49H90NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-33-48(54)58-40-43(41-60-62(56,57)59-38-37-50)61-49(55)34-30-26-25-28-32-44-45(47(53)39-46(44)52)36-35-42(51)31-27-6-4-2/h25,28,35-36,42-45,47,51,53H,3-24,26-27,29-34,37-41,50H2,1-2H3,(H,56,57)/b28-25-,36-35+/t42-,43+,44+,45+,47+/m0/s1
InChIKeySCFOATXWNJFQJS-YTHLCVDSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(24:0/PGE2) (CHEBI:230356) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoyl]oxypropyl] tetracosanoate
Manual XrefsDatabases
128425015ChemSpider
HMDB0284466HMDB