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3beta-hydroxy-5beta-androstane-17-one

MNXM166277 is deprecated and here replaced by MNXM1106950
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106950 Image of MNXM1106950
referencechebi:89524
formulaC19H30O2
global charge0
mol weight290.447
InChIKeyQGXBDMJGAMFCBF-XRJZGPCZSA-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 MNXM1106950
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)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89524
chebi:89524
QGXBDMJGAMFCBF-XRJZGPCZSA-N 		3beta-hydroxy-5beta-androstane-17-one
(3beta,5beta)-3-hydroxyandrostan-17-one
3beta-etiocholanolone
3beta-hydroxy-17-oxo-5beta-androstane
3beta-hydroxy-5beta-androstan-17-one
3beta-hydroxyetiocholan-17-one
5beta-androstan-3beta-ol-17-one
5beta-androstane-3beta-ol-17-one
5beta-epiandrosterone
beta-etiocholanolone
epi-5beta-androsterone
epiaetiocholanolone
epietiocholanolone
etiocholan-3beta-ol-17-one

sabiork.compound:29395
sabiorkM:29395
QGXBDMJGAMFCBF-XRJZGPCZSA-N 		3beta-Hydroxy-5beta-androstan-17-one
hmdb:HMDB0000546
QGXBDMJGAMFCBF-XRJZGPCZSA-N 		Epietiocholanolone
(1S,2S,5S,7R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
3b-Etiocholanolone
3b-Hydroxy-17-oxo-5b-androstane
3b-Hydroxy-5b-androstan-17-one
3b-Hydroxy-5b-androstane-17-one
3b-Hydroxyetiocholan-17-one
5b-Androstan-3b-ol-17-one
5b-Androstane-3b-ol-17-one
5b-Epiandrosterone
Epi-5b-androsterone
Epiaetiocholanolone
Etiocholan-3b-ol-17-one
M1A
Methyl-1-alpha
b-Etiocholanolone
beta-Etiocholanolone

lipidmaps:LMST02020104
lipidmapsM:LMST02020104
QGXBDMJGAMFCBF-XRJZGPCZSA-N 		Epietiocholanolone
O2
ST 19:1

hmdb:HMDB00546 		secondary/obsolete/fantasy identifier