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CHEBI:28859 - 5α-androstane

Default Structure
ChEBI IDCHEBI:28859
ChEBI Name5α-androstane
Stars
ASCII Name5alpha-androstane
DefinitionThe 5α-stereoisomer of androstane.
Secondary ChEBI IDsCHEBI:2712, CHEBI:20638
Last Modified7 August 2017
DownloadsMolfile
FormulaC19H32
Net Charge0
Average Mass260.465
Monoisotopic Mass260.25040
SMILES[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
InChIInChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKeyQZLYKIGBANMMBK-UGCZWRCOSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5α-androstane (CHEBI:28859) has role human metabolite (CHEBI:77746)
5α-androstane (CHEBI:28859) is a androstane (CHEBI:35509)
Incoming Relation(s)
5α-androstane-3β,6α,17β-triol (CHEBI:85809) has functional parent 5α-androstane (CHEBI:28859)
5α-androstane-3β,7α,17β-triol (CHEBI:85807) has functional parent 5α-androstane (CHEBI:28859)
epiandrosterone (CHEBI:541975) has functional parent 5α-androstane (CHEBI:28859)
vecuronium bromide (CHEBI:9940) has functional parent 5α-androstane (CHEBI:28859)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-5α-androst-1-en-3-one propionate (CHEBI:79775) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-5α-androstan-3-one (CHEBI:16330) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-5α-androstane acetate (CHEBI:79766) has parent hydride 5α-androstane (CHEBI:28859)
18-hydroxy-5α-dihydrotestosterone (CHEBI:137037) has parent hydride 5α-androstane (CHEBI:28859)
19-hydroxy-5α-dihydrotestosterone (CHEBI:137031) has parent hydride 5α-androstane (CHEBI:28859)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) has parent hydride 5α-androstane (CHEBI:28859)
androsterone (CHEBI:16032) has parent hydride 5α-androstane (CHEBI:28859)
androsterone sulfate (CHEBI:83037) has parent hydride 5α-androstane (CHEBI:28859)
dutasteride (CHEBI:521033) has parent hydride 5α-androstane (CHEBI:28859)
epiandrosterone sulfate (CHEBI:83040) has parent hydride 5α-androstane (CHEBI:28859)
finasteride (CHEBI:5062) has parent hydride 5α-androstane (CHEBI:28859)
rocuronium (CHEBI:8884) has parent hydride 5α-androstane (CHEBI:28859)
rocuronium bromide (CHEBI:8885) has parent hydride 5α-androstane (CHEBI:28859)
vecuronium (CHEBI:9939) has parent hydride 5α-androstane (CHEBI:28859)
IUPAC Name 
5α-androstane
Synonyms  Source
5alpha-AndrostaneKEGG COMPOUND
AndrostaneKEGG COMPOUND
Manual XrefsDatabases
C01554KEGG COMPOUND
LMST02020056LIPID MAPS
Registry NumbersSources
Beilstein:2043119Beilstein
CAS:438-22-2KEGG COMPOUND
CAS:438-22-2ChemIDplus
Citations