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5beta-androstane-3,17-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM1373848

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	2

formula

C₁₉H₂₈O₂

charge

mass

288.431

reference

chebi:16985

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

[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

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
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