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

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androst-5-en-3beta,17beta-diol

	Properties	Image
MNX_ID	MNXM733638
reference	chebi:2710
formula	C₁₉H₃₀O₂
global charge	0
mol weight	290.447
InChIKey	QADHLRWLCPCEKT-LOVVWNRFSA-N
InChI	InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

MNX internals

InChI (mnx)	InChI=1/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,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:12]1=[CH: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)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2710 chebi:2710 QADHLRWLCPCEKT-LOVVWNRFSA-N	androst-5-en-3beta,17beta-diol (3beta,17beta)-androst-5-ene-3,17-diol 3beta,17beta-Dihydroxy-5-androstene 3beta,17beta-Dihydroxyandrost-5-ene 3beta,17beta-dihydroxyandrost-5-ene 5-androstenediol Androst-5-ene-3beta,17beta-diol Androstenediol androst-5-ene-3beta,17beta-diol androst-5-enediol hermaphrodiol
hmdb:HMDB0003818 QADHLRWLCPCEKT-LOVVWNRFSA-N	5-Androstenediol (1S,2R,5S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-diol (3b,17b)-Androst-5-ene-3,17-diol (3beta,17beta)-Androst-5-ene-3,17-diol (3beta,17beta)-androst-5-ene-3,17-diol 3b,17b-Dihydroxy-5-androstene 3b,17b-Dihydroxyandrost-5-ene 3beta,17beta-Dihydroxy-5-androstene 3beta,17beta-Dihydroxyandrost-5-ene 3beta,17beta-dihydroxy-5-androstene 3beta,17beta-dihydroxyandrost-5-ene 5 Androstene 3,17 diol 5 Androstene 3beta 17beta diol 5-Androstene-3,17-diol 5-Androstene-3beta-17beta-diol 5-androstenediol Androst 5 ene 3 beta,17 beta diol Androst 5 ene 3,17 diol Androst-5-en-3b,17b-diol Androst-5-en-3beta,17beta-diol Androst-5-ene-3 beta,17 beta-diol Androst-5-ene-3,17-diol Androst-5-ene-3b,17b-diol Androst-5-ene-3beta,17beta-diol Androst-5-enediol Androstenediol Bisexovister Delta 5 Androstenediol Delta 5-Androstenediol Delta5-Androstenediol Hermaphrodiol Parke davis brand OF androstenediol Tetrabol b,17b-Diol delta 5 Androstene 3 beta,17 beta diol delta 5-Androstene-3 beta,17 beta-diol delta-5-Androstenediol
bigg.metabolite:C04295 biggM:C04295 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androst-5-ene-3beta,17beta-diol
sabiork.compound:7215 sabiorkM:7215 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androst-5-ene-3beta,17beta-diol 3beta,17beta-Dihydroxy-5-androstene 3beta,17beta-Dihydroxyandrost-5-ene Androstenediol
vmhM:C04295 vmhmetabolite:C04295 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androst-5-ene-3beta,17beta-diol [(1S,2R,5S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]oxidanesulfonic acid
kegg.drug:D00179 keggD:D00179 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androstenediol (JAN) Tetrabol (TN)
seed.compound:cpd02637 seedM:cpd02637 kegg.compound:C04295 keggC:C04295 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androstenediol 3beta,17beta-Dihydroxy-5-androstene 3beta,17beta-Dihydroxyandrost-5-ene Androst-5-ene-3beta,17beta-diol
lipidmaps:LMST02020005 lipidmapsM:LMST02020005 QADHLRWLCPCEKT-LOVVWNRFSA-N	Androstenediol O2 ST 19:1 androst-5-en-3beta,17beta-diol
SLM:000485341 slm:000485341 QADHLRWLCPCEKT-LOVVWNRFSA-N	androst-5-en-3beta,17beta-diol
metacyc.compound:CPD-23957 metacycM:CPD-23957 QADHLRWLCPCEKT-LOVVWNRFSA-N	androstenediol (3beta,17beta)-androst-5-ene-3,17-diol androst-5-ene-3beta,17beta-diol
hmdb:HMDB03818 biggM:M_C04295 keggC:M_C04295 keggD:M_D00179 seedM:M_cpd02637 vmhM:M_C04295	secondary/obsolete/fantasy identifier