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CHEBI:137046 - 6β,16α,17α-trihydroxyprogesterone

ChEBI IDCHEBI:137046
ChEBI Name6β,16α,17α-trihydroxyprogesterone
Stars
ASCII Name6beta,16alpha,17alpha-trihydroxyprogesterone
DefinitionA 3-oxo-Δ4 steroid that is progesterone substituted by hydroxy groups at positions 6, 16 and 17 (6β,16α,17α-stereoisomer).
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@@H](O)[C@]1(O)C(C)=O
InChIInChI=1S/C21H30O5/c1-11(22)21(26)18(25)10-15-13-9-17(24)16-8-12(23)4-6-19(16,2)14(13)5-7-20(15,21)3/h8,13-15,17-18,24-26H,4-7,9-10H2,1-3H3/t13-,14+,15+,17-,18-,19-,20+,21-/m1/s1
InChIKeySSBCUQUXYYMNRG-NAUTVQSMSA-N
ChEBI Ontology
Outgoing Relation(s)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) has functional parent progesterone (CHEBI:17026)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) has parent hydride pregnane (CHEBI:8386)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a 16α-hydroxy steroid (CHEBI:16799)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a 17α-hydroxy steroid (CHEBI:35342)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a 20-oxo steroid (CHEBI:36885)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a 3-oxo-Δ4 steroid (CHEBI:47909)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a C21-steroid (CHEBI:61313)
6β,16α,17α-trihydroxyprogesterone (CHEBI:137046) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
6β,16α,17-trihydroxypregn-4-ene-3,20-dione
Synonyms  Source
6β,16α,17α-trihydroxy-4-pregnene-3,20-dioneSUBMITTER
(6β,16α)-6,16,17-trihydroxypregn-4-ene-3,20-dioneIUPAC
UniProt Name  Source
6β,16α,17α-trihydroxyprogesteroneUniProt
Citations