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CHEBI:230230 - PE(24:0/PGF1alpha)

ChEBI IDCHEBI:230230
ChEBI NamePE(24:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H94NO11P
Net Charge0
Average Mass904.261
Monoisotopic Mass903.65645
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C49H94NO11P/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/h35-36,42-47,51-53H,3-34,37-41,50H2,1-2H3,(H,56,57)/b36-35+/t42-,43+,44+,45+,46-,47+/m0/s1
InChIKeyBFKGGVUVZUFQME-WNHUYTSLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(24:0/PGF1alpha) (CHEBI:230230) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]propyl] tetracosanoate
Manual XrefsDatabases
HMDB0284538HMDB
128425031ChemSpider