MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5alpha-androstan-3,17-dione

	Properties	Image
MNX_ID	MNXM730559
reference	chebi:15994
formula	C₁₉H₂₈O₂
global charge	0
mol weight	288.431
InChIKey	RAJWOBJTTGJROA-WZNAKSSCSA-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-/m0/s1
SMILES	C[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-/m0/s1
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)	22
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15994 chebi:15994 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-androstan-3,17-dione 5alpha-Androstane-3,17-dione 5alpha-androstane-3,17-dione Androstanedione
sabiork.compound:5175 sabiorkM:5175 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-Androstane-3,17-dione 5alpha-Dione Androstanedione
kegg.compound:C00674 keggC:C00674 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-Androstane-3,17-dione Androstanedione
bigg.metabolite:andrstandn biggM:andrstandn SLM:000001056 slm:000001056 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-androstane-3,17-dione
vmhM:andrstandn vmhmetabolite:andrstandn RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-androstane-3,17-dione (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-dione
lipidmaps:LMST02020085 lipidmapsM:LMST02020085 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-androstane-3,17-dione 5alpha-Androstane-3,17-dione 5alpha-androstane-3,17-dione Androstanedione O2 ST 19:2
metacyc.compound:CPD-342 metacycM:CPD-342 RAJWOBJTTGJROA-WZNAKSSCSA-N	5alpha-androstanedione 5alpha-androstane-3,17-dione androstane-3,17-dione dihydroandrostenedione
hmdb:HMDB0000899 RAJWOBJTTGJROA-WZNAKSSCSA-N	Androstanedione (1S,2S,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-dione (5a)-Androstane-3,17-dione 3,17-Dioxy-5 alpha-androstane 5 alpha-Androstane-3,17-dione 5 alpha-Androstanedione 5 beta-Androstane-3,17-dione 5-alpha-Androstane-3,17-dione 5a-Androsta-3,17-dione 5a-Androstan-3,17-dione 5a-Androstane-3, 17-dione 5a-Androstane-3,17-dione 5a-Androstanedione 5alpha-Androstan-3,17-dione 5alpha-Androstane-3,17-dione 5alpha-androstan-3,17-dione Androstane-3,17-dione Androstane-3,17-dione, (2-3(H)-labeled, (2alpha,5beta))-isomer Androstane-3,17-dione, (2-3(H)-labeled, (2beta,5beta))-isomer Androstane-3,17-dione, (4-(3)H-labeled, (4alpha,5beta))-isomer Androstane-3,17-dione, (4-(3)H-labeled, (4beta,5beta))-isomer Androstane-3,17-dione, (5alpha)-isomer Androstane-3,17-dione, (5beta)-isomer Androstane-3,7-dione
seed.compound:cpd00511 seedM:cpd00511 RAJWOBJTTGJROA-WZNAKSSCSA-N	Androstanedione 5alpha-Androstane-3,17-dione 5alpha-androstane-3,17-dione androstane-3,17-dione androstanedione dihydroandrostenedione
hmdb:HMDB0011608 hmdb:HMDB00899 hmdb:HMDB11608 chebi:12168 chebi:20639 chebi:2137 chebi:40140 biggM:M_andrstandn keggC:M_C00674 seedM:M_cpd00511 vmhM:M_andrstandn	secondary/obsolete/fantasy identifier