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CHEBI:137049 - 16α,17α-dihydroxypregnenolone

ChEBI IDCHEBI:137049
ChEBI Name16α,17α-dihydroxypregnenolone
Stars
ASCII Name16alpha,17alpha-dihydroxypregnenolone
DefinitionA pregnane sterol that is pregnenolone substituted by two hydroxy groups at positions 16 and 17 (16α,17α-stereoisomer).
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@@]12CC=C3C[C@@H](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/C21H32O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChIKeyJUTWIBFBXPFWGP-XXHSLLPRSA-N
ChEBI Ontology
Outgoing Relation(s)
16α,17α-dihydroxypregnenolone (CHEBI:137049) is a 16α-hydroxy steroid (CHEBI:16799)
16α,17α-dihydroxypregnenolone (CHEBI:137049) is a 17α-hydroxy steroid (CHEBI:35342)
16α,17α-dihydroxypregnenolone (CHEBI:137049) is a hydroxypregnenolone (CHEBI:36730)
16α,17α-dihydroxypregnenolone (CHEBI:137049) is a pregnane sterol (CHEBI:131698)
16α,17α-dihydroxypregnenolone (CHEBI:137049) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
3β,16α-trihydroxypregn-5-en-20-one
Synonyms  Source
3β,16α,17α-trihydroxypregn-5-en-20-oneSUBMITTER
(β,16α)-3,16,17-trihydroxypregn-5-en-20-oneIUPAC
16α,17-dihydroxypregnenoloneChEBI
UniProt Name  Source
16α,17α-dihydroxypregnenoloneUniProt
Registry NumbersSources
Reaxys:3218556Reaxys
Citations