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CHEBI:231139 - PE(24:1(15Z)/PGE2)

ChEBI IDCHEBI:231139
ChEBI NamePE(24:1(15Z)/PGE2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H88NO11P
Net Charge0
Average Mass898.213
Monoisotopic Mass897.60950
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=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/C49H88NO11P/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/h12-13,25,28,35-36,42-45,47,51,53H,3-11,14-24,26-27,29-34,37-41,50H2,1-2H3,(H,56,57)/b13-12-,28-25-,36-35+/t42-,43+,44+,45+,47+/m0/s1
InChIKeySYKYUGPVJMODNY-REMDTFSVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(24:1(15Z)/PGE2) (CHEBI:231139) 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] (Z)-tetracos-15-enoate
Manual XrefsDatabases
128425033ChemSpider
HMDB0284570HMDB