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CHEBI:230997 - PA(a-25:0/PGF2alpha)

ChEBI IDCHEBI:230997
ChEBI NamePA(a-25:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H89O11P
Net Charge0
Average Mass873.203
Monoisotopic Mass872.61425
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)O)[C@@H](O)C[C@H]1O
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/h23,27,35-36,40-46,49-51H,4-22,24-26,28-34,37-39H2,1-3H3,(H2,54,55,56)/b27-23+,36-35+/t40?,41-,42+,43+,44+,45-,46+/m0/s1
InChIKeyNCALUZKMYXHGQX-GBOLCTFLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(a-25:0/PGF2alpha) (CHEBI:230997) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-phosphonooxypropyl] 22-methyltetracosanoate
Manual XrefsDatabases
128427192ChemSpider
HMDB0267241HMDB