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

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Androstanediol

MNXM4402 is deprecated and here replaced by MNXM1106952
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1106952
reference	keggC:C07632
formula	C₁₉H₃₂O₂
global charge	0
mol weight	292.463
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](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(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][CH: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)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04794 seedM:cpd04794 kegg.compound:C07632 keggC:C07632 CBMYJHIOYJEBSB-UNPXRYTGSA-N	Androstanediol Androstane-3,17-diol
hmdb:HMDB0000495 CBMYJHIOYJEBSB-UNPXRYTGSA-N	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