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4-Androstenediol

MNXM728998 is deprecated and replaced by MNXM728997
PropertiesImage
MNX_IDMNXM728997 Image of MNXM728997
referencechebi:34386
formulaC19H30O2
global charge0
mol weight290.447
InChIKeyBTTWKVFKBPAFDK-LOVVWNRFSA-N
InChIInChI=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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=C[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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 Image of MNXM728997
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][C@H:13]([OH:20])[CH:11]=[C: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)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd09909
seedM:cpd09909
sabiork.compound:21471
sabiorkM:21471
CHEBI:34386
chebi:34386
kegg.compound:C14210
keggC:C14210
BTTWKVFKBPAFDK-LOVVWNRFSA-N 		4-Androstenediol
Androst-4-ene-3beta,17beta-diol
hmdb:HMDB0005849
BTTWKVFKBPAFDK-LOVVWNRFSA-N 		4-Androstenediol
(1S,2R,5S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-diol
(3b,17b)-Androst-4-ene-3,17-diol
(3beta,17beta)-Androst-4-ene-3,17-diol
3b,17b-Dihydroxy-4-androstene
3beta,17beta-Dihydroxy-4-androstene
4-Androstene-3b,17b-diol
Androst-4-en-3b,17b-diol
Androst-4-ene-3b,17b-diol
Androst-4-ene-3beta,17beta-diol
D4-Androstene-3b,17b-diol

lipidmaps:LMST02020105
lipidmapsM:LMST02020105
BTTWKVFKBPAFDK-LOVVWNRFSA-N 		4-Androstenediol
O2
ST 19:1

hmdb:HMDB05849
keggC:M_C14210
seedM:M_cpd09909 		secondary/obsolete/fantasy identifier