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CHEBI:230195 - PS(24:0/PGF2alpha)

ChEBI IDCHEBI:230195
ChEBI NamePS(24:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H92NO13P
Net Charge0
Average Mass946.254
Monoisotopic Mass945.63063
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C50H92NO13P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-33-48(55)61-38-42(39-62-65(59,60)63-40-45(51)50(57)58)64-49(56)34-30-26-25-28-32-43-44(47(54)37-46(43)53)36-35-41(52)31-27-6-4-2/h25,28,35-36,41-47,52-54H,3-24,26-27,29-34,37-40,51H2,1-2H3,(H,57,58)(H,59,60)/b28-25+,36-35+/t41-,42+,43+,44+,45-,46-,47+/m0/s1
InChIKeyNXRPFVHVAHYPGR-AVNZFDMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PS(24:0/PGF2alpha) (CHEBI:230195) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0283634HMDB
128424872ChemSpider