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4,5beta-dihydrocortisone

PropertiesImage
MNX_IDMNXM1108060 Image of MNXM1108060
referencechebi:18093
formulaC21H30O5
global charge0
mol weight362.466
InChIKeyYCLWEYIBFOLMEM-FNLRALKVSA-N
InChIInChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1
SMILESC[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1 Image of MNXM1108060
SMILES (mnx)[CH3:1][C@:19]12[CH2:7][CH2:5][C:13](=[O:23])[CH2:9][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][OH:22])=[O:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C:16](=[O:24])[C@@H:18]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18093
chebi:18093
YCLWEYIBFOLMEM-FNLRALKVSA-N 		4,5beta-dihydrocortisone
17,21-dihydroxy-5beta-pregnane-3,11,20-trione
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
4,5beta-Dihydrocortisone
5-dihydrocortisone
5beta-Pregnane-17alpha,21-diol-3,11,20-trione

SLM:000485356
slm:000485356
YCLWEYIBFOLMEM-FNLRALKVSA-N 		17,21-dihydroxy-5beta-pregnane-3,11,20-trione
hmdb:HMDB0006758
YCLWEYIBFOLMEM-FNLRALKVSA-N 		17a,21-Dihydroxy-5b-pregnane-3,11,20-trione
(1S,2S,7R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,17-dione
17,21-Dihydroxy-5-beta-pregnane-3,11,20-trione
17,21-Dihydroxy-5b-pregnane-3,11,20-trione
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
17alpha,21-dihydroxy-5beta-pregnane-3,11,20-trione
4,5-b-Dihydrocortisone
4,5-beta-Dihydrocortisone
4,5b-Dihydrocortisone
4,5beta-Dihydrocortisone
4,5beta-dihydrocortisone
5 beta-Dihydrocortisone
5 beta-Pregnan-17 alpha,21-dihydroxy-3,11,20-trione
5-Dihydrocortisone
5b-Pregnane-17a,21-diol-3,11,20-trione
5beta-Pregnane-17alpha,21-diol-3,11,20-trione
5beta-pregnane-17alpha,21-diol-3,11,20-trione
dihydrocortisone

sabiork.compound:7939
sabiorkM:7939
kegg.compound:C05469
keggC:C05469
YCLWEYIBFOLMEM-FNLRALKVSA-N 		17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
4,5beta-Dihydrocortisone
5beta-Pregnane-17alpha,21-diol-3,11,20-trione

reactome:R-ALL-9728939
reactomeM:R-ALL-9728939
CHEBI:23736
chebi:23736
YCLWEYIBFOLMEM-AGIMVQGUSA-N 		4,5-dihydrocortisone
dihydrocortisone

vmhM:45bdhcrtsn
vmhmetabolite:45bdhcrtsn
YCLWEYIBFOLMEM-FNLRALKVSA-N 		4,5beta-Dihydrocortisone

lipidmaps:LMST02030095
lipidmapsM:LMST02030095
YCLWEYIBFOLMEM-FNLRALKVSA-N 		4,5beta-Dihydrocortisone
17,21-dihydroxy-5beta-pregnane-3,11,20-trione
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
4,5beta-Dihydrocortisone
4,5beta-dihydrocortisone
5-dihydrocortisone
5beta-Pregnane-17alpha,21-diol-3,11,20-trione
O5
ST 21:3

seed.compound:cpd03250
seedM:cpd03250
YCLWEYIBFOLMEM-FNLRALKVSA-N 		4,5beta-Dihydrocortisone
17,21-dihydroxy-5beta-pregnane-3,11,20-trione
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
4,5beta-dihydrocortisone
5beta-Pregnane-17alpha,21-diol-3,11,20-trione

metacyc.compound:CPD-287
metacycM:CPD-287
YCLWEYIBFOLMEM-FNLRALKVSA-N 		4,5beta-dihydrocortisone
17,21-dihydroxy-5beta-pregnane-3,11,20-trione

sabiork.compound:26848
sabiorkM:26848
YCLWEYIBFOLMEM-AGIMVQGUSA-N 		Dihydrocortisone

hmdb:HMDB06758
chebi:11927
chebi:1753
chebi:20277
chebi:785
keggC:M_C05469
seedM:M_cpd03250
vmhM:M_45bdhcrtsn 		secondary/obsolete/fantasy identifier