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5-alpha-THDOC

MNXM8277 is deprecated and here replaced by MNXM730973
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM730973

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

formula

C₂₁H₃₄O₃

charge

mass

334.25079

reference

chebi:34461

InChIKey

CYKYBWRSLLXBOW-GDYGHMJCSA-N

InChI

InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1

SMILES

C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34461 chebi:34461	5-alpha-THDOC 2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one 3alpha,21-Dihydroxy-5alpha-pregnan-20-one 3alpha,21-Dihydroxy-5beta-pregnan-20-one 5alpha-THDOC Allotetrahydrodeoxycorticosterone Deoxycorticosterone-21-aminopropane Tetrahydro-11-deoxycorticosterone
bigg.metabolite:CE5072 biggM:CE5072	21-hydroxyallopregnanolone
lipidmaps:LMST02030132 lipidmapsM:LMST02030132	21-hydroxyallopregnanolone 3alpha,21-dihydroxy-5alpha-pregnane-20-one O3 ST 21:1
seed.compound:cpd09545 seedM:cpd09545	5-alpha-THDOC 3alpha,21-Dihydroxy-5alpha-pregnan-20-one 5alpha-THDOC Allotetrahydrodeoxycorticosterone
kegg.compound:C13713 keggC:C13713	Allotetrahydrodeoxycorticosterone 3alpha,21-Dihydroxy-5alpha-pregnan-20-one 5alpha-THDOC
lipidmaps:LMST05030013 lipidmapsM:LMST05030013	Tetrahydrodeoxycorticosterone
hmdb:HMDB0000879	Tetrahydrodeoxycorticosterone 2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one 3 alpha,21-Dihydroxy-5 beta-pregnan-20-one 3 alpha,5 beta-Tetrahydrodeoxycorticosterone 3 beta,5 alpha-Tetrahydrodeoxycorticosterone 3,21-Dihydroxypregnan-20-one 3a,21-Dihydroxy-5a-pregnan-20-one 3alpha,21-Dihydroxy-5alpha-pregnan-20-one 3alpha,21-Dihydroxy-5beta-pregnan-20-one 3alpha,21-dihydroxy-5alpha-pregnan-20-one 5-alpha-THDOC 5a-THDOC 5alpha-Pregnan-3alpha,21-diol-20-one 5alpha-Pregnane-3alpha,21-diol-20-one 5alpha-THDOC 5alpha-thdoc Allotetrahydrodeoxycorticosterone Deoxycorticosterone-21-aminopropane Pregnane-3,21-diol-20-one THDOC Tetrahydro-11-deoxycorticosterone Tetrahydrodeoxycorticosterone, (3alpha,5alpha)-isomer Tetrahydrodeoxycorticosterone, (3beta,5alpha)-isomer Tetrahydrodesoxycorticosterone tetrahydrodeoxycorticosterone
hmdb:HMDB00879 biggM:M_CE5072 keggC:M_C13713 seedM:M_cpd09545	secondary/obsolete/fantasy identifier