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CHEBI:231135 - PA(2:0/PGF1alpha)

ChEBI IDCHEBI:231135
ChEBI NamePA(2:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45O11P
Net Charge0
Average Mass552.598
Monoisotopic Mass552.26995
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)(O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C25H45O11P/c1-3-4-7-10-19(27)13-14-22-21(23(28)15-24(22)29)11-8-5-6-9-12-25(30)36-20(16-34-18(2)26)17-35-37(31,32)33/h13-14,19-24,27-29H,3-12,15-17H2,1-2H3,(H2,31,32,33)/b14-13+/t19-,20+,21+,22+,23-,24+/m0/s1
InChIKeySNGGYHULLPVUPU-VCHFTVDVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(2:0/PGF1alpha) (CHEBI:231135) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-acetyloxy-3-phosphonooxypropan-2-yl] 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoate
Manual XrefsDatabases
HMDB0266579HMDB
128427076ChemSpider