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CHEBI:193455 - 16a-Hydroxyprednisolone

ChEBI IDCHEBI:193455
ChEBI Name16a-Hydroxyprednisolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILES[H][C@@]12C[C@H](O)[C@](O)(CC(=O)O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C21H28O6/c1-19-6-5-12(22)7-11(19)3-4-13-14-8-16(24)21(27,10-17(25)26)20(14,2)9-15(23)18(13)19/h5-7,13-16,18,23-24,27H,3-4,8-10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,18+,19-,20-,21+/m0/s1
InChIKeyGUSVXFPRNUPMFZ-ZEVBYOGFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
16a-Hydroxyprednisolone (CHEBI:193455) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
2-[(8S,9S,10R,11R,13S,14S,16S,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetic acid
Manual XrefsDatabases
114547607ChemSpider