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5alpha-androst-1-ene-3,17-dione

PropertiesImage
MNX_IDMNXM162638 Image of MNXM162638
referencechebi:133930
formulaC19H26O2
global charge0
mol weight286.415
InChIKeyWJIQCDPCDVWDDE-WZNAKSSCSA-N
InChIInChI=1S/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
SMILESC[C@]12C=CC(=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/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1 Image of MNXM162638
SMILES (mnx)[CH3:1][C@:18]12[CH:9]=[CH:7][C:13](=[O: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)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133930
chebi:133930
WJIQCDPCDVWDDE-WZNAKSSCSA-N 		5alpha-androst-1-ene-3,17-dione
1-Androstenedione
Delta(1)-androstene-3,17-dione
delta1-5alpha-Androstene-3,17-dione

sabiork.compound:32647
sabiorkM:32647
WJIQCDPCDVWDDE-WZNAKSSCSA-N 		5alpha-Androst-1-ene-3,17-dione
delta1-5alpha-Androstene-3,17-dione

metacyc.compound:CPD-23354
metacycM:CPD-23354
WJIQCDPCDVWDDE-WZNAKSSCSA-N 		androsta-1-ene-3,17-dione
1-androstenedione
5alpha-androst-1-ene-3,17-dione