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5beta-androstane-3,17-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM727351

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

formula

C₁₉H₂₈O₂

charge

mass

288.20893

reference

InChIKey

RAJWOBJTTGJROA-QJISAEMRSA-N

InChI

InChI=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

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16985 chebi:16985	5beta-androstane-3,17-dione 5beta-Androstane-3,17-dione Etiocholane-3,17-dione Etiocholanedione
metacyc.compound:5-BETA-ANDROSTANE-317-DIONE metacycM:5-BETA-ANDROSTANE-317-DIONE	5-beta-androstane-3,17-dione
sabiork.compound:6845 sabiorkM:6845 kegg.compound:C03772 keggC:C03772	5beta-Androstane-3,17-dione
seed.compound:cpd02365 seedM:cpd02365	5beta-Androstane-3,17-dione 5-beta-androstane-3,17-dione
SLM:000485681 slm:000485681	5beta-androstane-3,17-dione
lipidmaps:LMST02020058 lipidmapsM:LMST02020058	5beta-androstane-3,17-dione O2 ST 19:2
hmdb:HMDB0003769	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
hmdb:HMDB03769 chebi:12176 chebi:20660 chebi:2145 chebi:40692 keggC:M_C03772 seedM:M_cpd02365	secondary/obsolete/fantasy identifier