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3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one

PropertiesImage
MNX_IDMNXM36891 Image of MNXM36891
referencechebi:34352
formulaC21H34O4
global charge0
mol weight350.499
InChIKeyUPTAPIKFKZGAGM-FAIYVORSSA-N
InChIInChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1 Image of MNXM36891
SMILES (mnx)[CH3:1][C@:19]12[CH2:8][CH2:5][C@@H:14]([OH:23])[CH2:11][C@H:13]1[CH2:3][CH2:4][C@@H:15]1[C@@H:16]2[CH2:6][CH2:9][C@@:20]2([CH3:2])[C@H:17]1[CH2:7][CH2:10][C@@:21]2([C:18]([CH2:12][OH:22])=[O:24])[OH:25]
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
IdentifierDescription

CHEBI:34352
chebi:34352
UPTAPIKFKZGAGM-FAIYVORSSA-N 		3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
1-[(1S,2S,5R,7R,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one
11-Deoxytetrahydrocortisol
5beta-Pregnane-3alpha,17alpha,21-triol-20-one
Tetrahydro-11-deoxycortisol
Tetrahydro-S
Tetrahydrocortexolone

kegg.compound:C14594
keggC:C14594
UPTAPIKFKZGAGM-FAIYVORSSA-N 		3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Tetrahydro-11-deoxycortisol

seed.compound:cpd10293
seedM:cpd10293
UPTAPIKFKZGAGM-FAIYVORSSA-N 		Tetrahydro-11-deoxycortisol
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
hmdb:HMDB0005972
UPTAPIKFKZGAGM-FAIYVORSSA-N 		Tetrahydrodeoxycortisol
1-[(1S,2S,5R,7R,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one
11-Deoxytetrahydrocortisol
3 alpha, 17,21-Trihydroxy-5 beta-pregnan-20-one
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
3alpha,5beta-THS
5 beta-Pregnane-3alpha,17alpha,21-triol-20-one
5beta-Pregnane-3alpha,17alpha,21-triol-20-one
Tetrahydro-11-deoxycortisol
Tetrahydrocortexolone
Trihydroxypregnanone
tetrahydro Compound S
tetrahydro-Reichstein's substance S
tetrahydro-S
tetrahydro-s

lipidmaps:LMST05030014
lipidmapsM:LMST05030014
UPTAPIKFKZGAGM-FAIYVORSSA-N 		Tetrahydrodeoxycortisol
3alpha,17,21-trihydroxy-5beta-pregnan-20-one
O4
ST 21:1
THS
Tetrahydro-11-deoxy Cortisol
tetrahydro compound S

hmdb:HMDB05972
keggC:M_C14594
seedM:M_cpd10293 		secondary/obsolete/fantasy identifier