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5beta-androstane-3,17-dione

MNXM1217 is deprecated and here replaced by MNXM727351
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727351 Image of MNXM727351
referencechebi:16985
formulaC19H28O2
global charge0
mol weight288.431
InChIKeyRAJWOBJTTGJROA-QJISAEMRSA-N
InChIInChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
SMILESC[C@]12CCC(=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/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1 Image of MNXM727351
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][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)11
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16985
chebi:16985
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-androstane-3,17-dione
5beta-Androstane-3,17-dione
Etiocholane-3,17-dione
Etiocholanedione

sabiork.compound:6845
sabiorkM:6845
kegg.compound:C03772
keggC:C03772
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-Androstane-3,17-dione

vmhM:5batndn
vmhmetabolite:5batndn
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-Androstane-3,17-dione
(1S,2S,7R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-dione

seed.compound:cpd02365
seedM:cpd02365
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-Androstane-3,17-dione
5-beta-androstane-3,17-dione

SLM:000485681
slm:000485681
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-androstane-3,17-dione

metacyc.compound:5-BETA-ANDROSTANE-317-DIONE
metacycM:5-BETA-ANDROSTANE-317-DIONE
RAJWOBJTTGJROA-QJISAEMRSA-N 		5beta-androstane-3,17-dione
5-beta-androstane-3,17-dione
etiocholane-3,17-dione
etiocholanedione
hmdb:HMDB0003769
RAJWOBJTTGJROA-QJISAEMRSA-N 		Etiocholanedione
(1S,2S,7R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-dione
(5b)-Androstane-3,17-dione
5-beta-androstane-3,17-dione
5b-Androstane-3,17-dione
5b-Androstanedione
5beta-Androstane-3,17-dione
Etiochola-3,17-dione
Etiocholane-3,17-dione

lipidmaps:LMST02020058
lipidmapsM:LMST02020058
RAJWOBJTTGJROA-QJISAEMRSA-N 		Etiocholanedione
5beta-androstane-3,17-dione
Etiocholane-3,17-dione
O2
ST 19:2

hmdb:HMDB03769
chebi:12176
chebi:20660
chebi:2145
chebi:40692
keggC:M_C03772
seedM:M_cpd02365
vmhM:M_5batndn 		secondary/obsolete/fantasy identifier