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CHEBI:194032 - androst-5-ene-3α,16β,17β-triol

ChEBI IDCHEBI:194032
ChEBI Nameandrost-5-ene-3α,16β,17β-triol
Stars
ASCII Nameandrost-5-ene-3alpha,16beta,17beta-triol
DefinitionA 3α-hydroxy steroid that is androst-5-ene carrying three additional hydroxy groups at positions 3α, 16β and 17β.
Last Modified5 January 2023
Submittermwilliams
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILES[H][C@@]12CC=C3C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]21[H]
InChIInChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKeyGUGSXATYPSGVAY-GCXXXECGSA-N
ChEBI Ontology
Outgoing Relation(s)
androst-5-ene-3α,16β,17β-triol (CHEBI:194032) is a 16β-hydroxy steroid (CHEBI:17354)
androst-5-ene-3α,16β,17β-triol (CHEBI:194032) is a 17β-hydroxy steroid (CHEBI:35343)
androst-5-ene-3α,16β,17β-triol (CHEBI:194032) is a 3α-hydroxy steroid (CHEBI:36835)
androst-5-ene-3α,16β,17β-triol (CHEBI:194032) is a triol (CHEBI:27136)
IUPAC Name 
androst-5-ene-3α,16β,17β-triol
Synonyms  Source
(1R,2S,3aS,3bR,7R,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,2,7-triolIUPAC
5-androstene-3α-16β,17β-triolChEBI
5-androsten-3α-16β,17β-triolChEBI
Manual XrefsDatabases
HMDB0013199HMDB
FDB029327FooDB