EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173261 - 16α-hydroxyprednisolone

ChEBI IDCHEBI:173261
ChEBI Name16α-hydroxyprednisolone
Stars
ASCII Name16alpha-hydroxyprednisolone
DefinitionA 16-hydroxyprednisolone in which the hydroxy group at position 16 adopts α-configuration. It is a metabolite of budesonide found in human urine and plasma.
Last Modified31 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILES[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[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(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
InChIKeySEKYBDYVXDAYPY-ILNISADRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Urine (NCIT:C13283) PubMed (16842962)
blood plasma (BTO:0000118) PubMed (12717805)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxyprednisolone (CHEBI:173261) has role human urinary metabolite (CHEBI:84087)
16α-hydroxyprednisolone (CHEBI:173261) has role human xenobiotic metabolite (CHEBI:76967)
16α-hydroxyprednisolone (CHEBI:173261) is a 16-hydroxyprednisolone (CHEBI:196948)
IUPAC Name 
11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Synonyms  Source
16α-hydroxylprednisoloneChEBI
16alpha-hydroxyprednisoloneChEBI
16α-hydroxy prednisoloneChEBI
Manual XrefsDatabases
HMDB0244573HMDB
Registry NumbersSources
CAS:13951-70-7ChEBI
Citations