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3alpha-hydroxy-5beta-androstan-17-one

MNXM2192 is deprecated and here replaced by MNXM732617
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732617 Image of MNXM732617
referencechebi:28195
formulaC19H30O2
global charge0
mol weight290.447
InChIKeyQGXBDMJGAMFCBF-BNSUEQOYSA-N
InChIInChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1 Image of MNXM732617
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][C@@H:13]([OH:20])[CH2:11][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C:17](=[O:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-421519
reactomeM:R-ALL-421519
CHEBI:28195
chebi:28195
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		3alpha-hydroxy-5beta-androstan-17-one
(3alpha,5beta)-3-hydroxyandrostan-17-one
3alpha-Hydroxy-5beta-androstan-17-one
3alpha-Hydroxyetiocholan-17-one
3alpha-etiocholanolone
5-isoandrosterone
5beta-androstan-3alpha-ol-17-one
5beta-androsterone
AETIOCHOLANOLONE
Etiocholan-3alpha-ol-17-one
Etiocholanolone

metacyc.compound:3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE
metacycM:3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE
seed.compound:cpd21995
seedM:cpd21995
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		3-alpha-hydroxy-5-beta-androstane-17-one

bigg.metabolite:ahandrostan
biggM:ahandrostan
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		3alpha-Hydroxy-5beta-androstan-17-one

sabiork.compound:7267
sabiorkM:7267
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		3alpha-Hydroxy-5beta-androstan-17-one
3alpha-Hydroxyetiocholan-17-one
5beta-Androstane-3alpha-ol-17-one
Etiocholan-3alpha-ol-17-one
Etiocholanolone

vmhM:ahandrostan
vmhmetabolite:ahandrostan
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		3alpha-hydroxy-5beta-androstan-17-one
(1S,2S,5R,7R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one

seed.compound:cpd02677
seedM:cpd02677
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		Etiocholan-3alpha-ol-17-one
3alpha-Hydroxy-5beta-androstan-17-one
3alpha-Hydroxyetiocholan-17-one
Etiocholanolone
hmdb:HMDB0000490
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		Etiocholanolone
(1S,2S,5R,7R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
(3a,5b)-3-Hydroxyandrostan-17-one
(3alpha,5beta)-3-Hydroxyandrostan-17-one
(3alpha,5beta)-3-hydroxyandrostan-17-one
3 alpha Hydroxy 5 beta androstan 17 one
3-alpha-Hydroxy-5-beta-androstan-17-one
3a-Etiocholanolone
3a-Hydroxy-5b-androstan-17-one
3a-Hydroxy-5b-androstane-17-one
3a-Hydroxyetiocholan-17-one
3alpha-Etiocholanolone
3alpha-Hydroxy-5beta-androstan-17-one
3alpha-Hydroxyetiocholan-17-one
3alpha-etiocholanolone
3alpha-hydroxy-5beta-androstan-17-one
3alpha-hydroxyetiocholan-17-one
5 beta Androsterone
5-Isoandrosterone
5-beta-Androsterone
5b-Androstan-3a-ol-17-one
5b-Androstane-3a-ol-17-one
5b-Androsterone
5beta-Androstan-3alpha-ol-17-one
5beta-Androsterone
5beta-androstan-3alpha-ol-17-one
5beta-androsterone
AETIOCHOLANOLONE
Etiocholan-3a-ol-17-one
Etiocholan-3alpha-ol-17-one
a-Etiocholanolone
alpha-Etiocholanolone

kegg.compound:C04373
keggC:C04373
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		Etiocholanolone
3alpha-Hydroxy-5beta-androstan-17-one
3alpha-Hydroxyetiocholan-17-one
Etiocholan-3alpha-ol-17-one

lipidmaps:LMST02020059
lipidmapsM:LMST02020059
QGXBDMJGAMFCBF-BNSUEQOYSA-N 		Etiocholanolone
3alpha-hydroxy-5beta-androstan-17-one
5beta-androsterone
O2
ST 19:1

hmdb:HMDB00490
chebi:11904
chebi:1710
chebi:20236
chebi:40622
biggM:M_ahandrostan
keggC:M_C04373
seedM:M_cpd02677
seedM:M_cpd21995
vmhM:M_ahandrostan 		secondary/obsolete/fantasy identifier