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

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

	Properties	Image
MNX_ID	MNXM1107882
reference	chebi:18329
formula	C₁₉H₃₂O₂
global charge	0
mol weight	292.463
InChIKey	CBMYJHIOYJEBSB-YSZCXEEOSA-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)	5
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18329 chebi:18329 CBMYJHIOYJEBSB-YSZCXEEOSA-N	5alpha-androstane-3beta,17beta-diol (3beta,5alpha,17beta)-androstane-3,17-diol 3beta,17beta-dihydroxy-5alpha-androstane 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL 5alpha-Androstan-3beta,17beta-diol
sabiork.compound:21100 sabiorkM:21100 CBMYJHIOYJEBSB-YSZCXEEOSA-N	3beta-Androstanediol 5alpha-Androstane-3beta,17beta-diol
lipidmaps:LMST02020053 lipidmapsM:LMST02020053 CBMYJHIOYJEBSB-YSZCXEEOSA-N	3beta-androstanediol O2 ST 19:0 androstan-3beta,17beta-diol
metacyc.compound:ALPHA-ANDROSTAN-3BETA17BETA-DIOL metacycM:ALPHA-ANDROSTAN-3BETA17BETA-DIOL CBMYJHIOYJEBSB-YSZCXEEOSA-N	5-alpha-androstan-3beta,17beta-diol
sabiork.compound:14557 sabiorkM:14557 kegg.compound:C12525 keggC:C12525 CBMYJHIOYJEBSB-YSZCXEEOSA-N	5alpha-Androstan-3beta,17beta-diol
seed.compound:cpd09234 seedM:cpd09234 CBMYJHIOYJEBSB-YSZCXEEOSA-N	5alpha-Androstan-3beta,17beta-diol 5-alpha-androstan-3beta,17beta-diol
hmdb:HMDB0000493 CBMYJHIOYJEBSB-YSZCXEEOSA-N	5alpha-Androstane-3beta,17beta-diol (1S,2S,5S,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol (3b,5a,17b)-Androstane-3,17-diol (3beta,5alpha,17beta)-Androstane-3,17-diol (3beta,5alpha,17beta)-androstane-3,17-diol 3b,17b-Androstanediol 3b,17b-Dihydroxy-5a-androstane 3b-Androstanediol 3beta,17beta-Dihydroxy-5alpha-androstane 3beta,17beta-dihydroxy-5alpha-androstane 3beta-androstanediol 5-ALPHA-ANDROSTANE-3-BETA,17BETA-diol 5-a-ANDROSTANE-3-b,17b-diol 5-alpha-androstane-3-beta,17beta-diol 5a-Androstan-3b,17b-diol 5a-Androstane-3b,17b-diol 5alpha-Androstan-3beta,17beta-diol 5alpha-androstan-3beta,17beta-diol 5alpha-androstane-3beta,17beta-diol
SLM:000399825 slm:000399825 CBMYJHIOYJEBSB-YSZCXEEOSA-N	5alpha-androstane-3beta,17beta-diol
hmdb:HMDB00493 chebi:12167 chebi:20637 chebi:31138 chebi:40768 keggC:M_C12525 seedM:M_cpd09234	secondary/obsolete/fantasy identifier