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CHEBI:231041 - PA(a-25:0/PGE1)

ChEBI IDCHEBI:231041
ChEBI NamePA(a-25:0/PGE1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H89O11P
Net Charge0
Average Mass873.203
Monoisotopic Mass872.61425
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)O
InChIInChI=1S/C48H89O11P/c1-4-6-25-31-41(49)35-36-44-43(45(50)37-46(44)51)32-27-23-24-29-34-48(53)59-42(39-58-60(54,55)56)38-57-47(52)33-28-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-40(3)5-2/h35-36,40-44,46,49,51H,4-34,37-39H2,1-3H3,(H2,54,55,56)/b36-35+/t40?,41-,42+,43+,44+,46+/m0/s1
InChIKeyAYNPJPZXKAVQAL-GQJXXSKJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(a-25:0/PGE1) (CHEBI:231041) 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] 22-methyltetracosanoate
Manual XrefsDatabases
128427198ChemSpider
HMDB0267303HMDB