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CHEBI:230961 - PA(24:0/PGE1)

ChEBI IDCHEBI:230961
ChEBI NamePA(24:0/PGE1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87O11P
Net Charge0
Average Mass859.176
Monoisotopic Mass858.59860
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C47H87O11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-33-46(51)56-38-41(39-57-59(53,54)55)58-47(52)34-30-26-25-28-32-42-43(45(50)37-44(42)49)36-35-40(48)31-27-6-4-2/h35-36,40-43,45,48,50H,3-34,37-39H2,1-2H3,(H2,53,54,55)/b36-35+/t40-,41+,42+,43+,45+/m0/s1
InChIKeyBTBGGTXTDRYBLM-NBTSLHBMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(24:0/PGE1) (CHEBI:230961) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoyloxy]-3-phosphonooxypropyl] tetracosanoate
Manual XrefsDatabases
HMDB0266369HMDB
128427036ChemSpider