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5alpha-dihydrodeoxycorticosterone

PropertiesImage
MNX_IDMNXM163690 Image of MNXM163690
referencechebi:81468
formulaC21H32O3
global charge0
mol weight332.484
InChIKeyUSPYDUPOCUYHQL-KVHKMPIWSA-N
InChIInChI=1S/C21H32O3/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/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
SMILESC[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H32O3/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/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1 Image of MNXM163690
SMILES (mnx)[CH3:1][C@:20]12[CH2:9][CH2:7][C:14](=[O:23])[CH2:11][C@@H:13]1[CH2:3][CH2:4][C@H:15]1[C@@H:16]3[CH2:5][CH2:6][C@H:18]([C:19]([CH2:12][OH:22])=[O:24])[C@@:21]3([CH3:2])[CH2:10][CH2:8][C@@H:17]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81468
chebi:81468
USPYDUPOCUYHQL-KVHKMPIWSA-N 		5alpha-dihydrodeoxycorticosterone
(5alpha)-21-hydroxypregnane-3,20-dione
21-hydroxy-5alpha-pregnane-3,20-dione
5alpha-dihydro-11-deoxycorticosterone
5alpha-pregnan-21-ol-3,20-dione
allopregnane-21-ol-3,20-dione
hmdb:HMDB0060407
USPYDUPOCUYHQL-KVHKMPIWSA-N 		5alpha-Dihydrodeoxycorticosterone
(1S,2S,7S,10R,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one
21-Hydroxy-5 alpha-pregnane-3,20-dione
5 alpha-Dihydro-11-deoxycorticosterone
5a-Dihydrodeoxycorticosterone
5a-Pregnan-21-ol-3,20-dione
5alpha-Pregnan-21-ol-3,20-dione
5alpha-dihydrodeoxycorticosterone
5alpha-pregnan-21-ol-3,20-dione
Allopregnane-21-ol-3,20-dione
Hydroxydione
Hydroxydione sodium
Hydroxydione, (5 alpha)-isomer
Predion
Viadril
Viadryl

kegg.compound:C18040
keggC:C18040
USPYDUPOCUYHQL-KVHKMPIWSA-N 		5alpha-Dihydrodeoxycorticosterone
5alpha-Pregnan-21-ol-3,20-dione
Allopregnane-21-ol-3,20-dione

sabiork.compound:26639
sabiorkM:26639
USPYDUPOCUYHQL-KVHKMPIWSA-N 		5alpha-Pregnane-21-ol-3,20-dione
5alpha-Pregnan-21-ol-3,20-dione

lipidmaps:LMST02030134
lipidmapsM:LMST02030134
USPYDUPOCUYHQL-KVHKMPIWSA-N 		5alpha-dihydrodeoxycorticosterone
21-hydroxy-5alpha-pregnane-3,20-dione
O3
ST 21:2

seed.compound:cpd18023
seedM:cpd18023
USPYDUPOCUYHQL-KVHKMPIWSA-N 		Allopregnane-21-ol-3,20-dione
5alpha-Dihydrodeoxycorticosterone
5alpha-Pregnan-21-ol-3,20-dione

hmdb:HMDB60407
keggC:M_C18040
seedM:M_cpd18023 		secondary/obsolete/fantasy identifier