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Androstanediol

MNXM166580 is deprecated and here replaced by MNXM1106952
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106952

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₉H₃₂O₂

charge

mass

292.24023

reference

keggC:C07632

InChIKey

CBMYJHIOYJEBSB-UNPXRYTGSA-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]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04794 seedM:cpd04794 kegg.compound:C07632 keggC:C07632	Androstanediol Androstane-3,17-diol
hmdb:HMDB0000495	Androstanediol (1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol 3-a-Androstanediol 3-alpha-Androstanediol 3alpha-Androstanediol 5 Androstane 3,17 diol 5 a-Androstane-3 a, 17 b-diol 5 alpha Androstane 3 alpha,17 beta diol 5 alpha Androstane 3 beta,17 alpha diol 5 alpha Androstane 3 beta,17 beta diol 5 alpha Androstane 3alpha,17 beta diol 5 alpha-Androstane-3 alpha, 17 beta-diol 5 alpha-Androstane-3 alpha,17 beta-diol 5 alpha-Androstane-3 beta,17 alpha-diol 5 alpha-Androstane-3 beta,17 beta-diol 5 alpha-Androstane-3alpha,17 beta-diol 5 beta Androstane 3 alpha,17 beta diol 5 beta-Androstane-3 alpha,17 beta-diol 5-Androstane-3,17-diol 5-a-Androstane-3-a, 17-b-diol 5-alpha-Androstan-3-alpha,17-beta-diol 5-alpha-Androstane-3-a, 17-beta-diol 5-alpha-Androstane-3-alpha-17-beta-diol 5alpha Androstane 3beta,17alpha diol 5alpha-Androstane-3beta,17alpha-diol Androstane 3,17 diol Androstane-3,17-diol
hmdb:HMDB00495 keggC:M_C07632 seedM:M_cpd04794	secondary/obsolete/fantasy identifier