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

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5alpha-androstane-3alpha,17beta-diol

	Properties	Image
MNX_ID	MNXM729267
reference	chebi:36713
formula	C₁₉H₃₂O₂
global charge	0
mol weight	292.463
InChIKey	CBMYJHIOYJEBSB-KHOSGYARSA-N
InChI	InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
SMILES	C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

MNX internals

InChI (mnx)	InChI=1/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (mnx)	[CH3:1][C@:18]12[CH2:9][CH2:7][C@@H:13]([OH:20])[CH2:11][C@@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH: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)	7
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36713 chebi:36713 CBMYJHIOYJEBSB-KHOSGYARSA-N	5alpha-androstane-3alpha,17beta-diol (3alpha,5alpha,17beta)-androstane-3,17-diol 3alpha,17beta-dihydroxy-5alpha-androstane hombreol
seed.compound:cpd23769 seedM:cpd23769 CBMYJHIOYJEBSB-KHOSGYARSA-N	3alpha-androstanediol 5-alpha-androstan-3alpha,17beta-diol
lipidmaps:LMST02020052 lipidmapsM:LMST02020052 CBMYJHIOYJEBSB-KHOSGYARSA-N	3alpha-androstanediol O2 ST 19:0 androstan-3alpha,17beta-diol
metacyc.compound:CPD-13179 metacycM:CPD-13179 CBMYJHIOYJEBSB-KHOSGYARSA-N	5-alpha-androstan-3alpha,17beta-diol (3alpha,5alpha,17beta)-androstane-3,17-diol 3alpha-androstanediol
sabiork.compound:23012 sabiorkM:23012 CBMYJHIOYJEBSB-KHOSGYARSA-N	5alpha-Androstane-3alpha,17beta-diol
bigg.metabolite:CE2209 biggM:CE2209 SLM:000390126 slm:000390126 CBMYJHIOYJEBSB-KHOSGYARSA-N	5alpha-androstane-3alpha,17beta-diol
vmhM:CE2209 vmhmetabolite:CE2209 CBMYJHIOYJEBSB-KHOSGYARSA-N	5alpha-androstane-3alpha,17beta-diol (1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol
seed.compound:cpd02403 seedM:cpd02403 CBMYJHIOYJEBSB-JBDJBKRMSA-N	Androstan-3alpha,17beta-diol 10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17- hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol ANDROSTAN-3-ALPHA17-BETA-DIOL androstan-3alpha,17beta-diol
kegg.compound:C03852 keggC:C03852 CBMYJHIOYJEBSB-KHOSGYARSA-N	Androstan-3alpha,17beta-diol 5alpha-Androstan-3alpha,17beta-diol
hmdb:HMDB0000554 CBMYJHIOYJEBSB-KHOSGYARSA-N	Dihydroandrosterone (1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol (3a,5a,17b)-Androstane-3,17-diol (3alpha,5alpha,17beta)-Androstane-3,17-diol (3alpha,5alpha,17beta)-androstane-3,17-diol 3a,17b-Dihydroxy-5a-androstane 3a,5a-Tetrahydrotestosterone 3a-Androstanediol 3alpha,17beta-Dihydroxy-5alpha-androstane 3alpha,17beta-dihydroxy-5alpha-androstane 3alpha-androstanediol 5a-Androstane-3a,17b-diol 5alpha-Androstane-3alpha,17beta-androstanediol 5alpha-Androstane-3alpha,17beta-diol 5alpha-androstane-3alpha,17beta-diol Adiol Androstane-3a,17b-diol Etiocholane-3a,17b-diol Etiocholane-3alpha,17beta-diol Hombreol
SLM:000001057 slm:000001057 CBMYJHIOYJEBSB-JBDJBKRMSA-N	androstan-3alpha,17beta-diol
metacyc.compound:ANDROSTAN-3-ALPHA17-BETA-DIOL metacycM:ANDROSTAN-3-ALPHA17-BETA-DIOL CBMYJHIOYJEBSB-JBDJBKRMSA-N	androstan-3alpha,17beta-diol 10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17- hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CHEBI:18011 chebi:18011 CBMYJHIOYJEBSB-JBDJBKRMSA-N	androstan-3alpha,17beta-diol Androstan-3alpha,17beta-diol androstane-3alpha,17beta-diol
hmdb:HMDB00554 chebi:13831 chebi:2711 biggM:M_CE2209 keggC:M_C03852 seedM:M_cpd02403 seedM:M_cpd23769 vmhM:M_CE2209	secondary/obsolete/fantasy identifier