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(17R,20S)-17,20-dihydroxypregn-4-en-3-one

PropertiesImage
MNX_IDMNXM1370686 Image of MNXM1370686
referencechebi:16418
formulaC21H32O3
global charge0
mol weight332.484
InChIKeyMASCESDECGBIBB-HNXXTFFGSA-N
InChIInChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
SMILESC[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1 Image of MNXM1370686
SMILES (mnx)[CH3:1][C@@H:13]([C@@:21]1([OH:24])[CH2:11][CH2:8][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C:14]4=[CH:12][C:15](=[O:23])[CH2:6][CH2:9][C@:19]4([CH3:2])[C@H:17]3[CH2:7][CH2:10][C@@:20]21[CH3:3])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16418
chebi:16418
MASCESDECGBIBB-HNXXTFFGSA-N 		(17R,20S)-17,20-dihydroxypregn-4-en-3-one
(20S)-17,20-dihydroxypregn-4-en-3-one
17alpha,20alpha-Dihydroxypregn-4-en-3-one

lipidmaps:LMST02030183
lipidmapsM:LMST02030183
MASCESDECGBIBB-HNXXTFFGSA-N 		(20S)-17,20-dihydroxypregn-4-en-3-one
(20S)-17,20-dihydroxypregn-4-en-3-one
17alpha,20alpha-Dihydroxypregn-4-en-3-one
17alpha,20alpha-dihydroxypregn-4-en-3-one
O3
ST 21:2

metacyc.compound:17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-
metacycM:17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-
MASCESDECGBIBB-HNXXTFFGSA-N 		(20S)-17,20-dihydroxypregn-4-en-3-one
17alpha,20alpha-dihydroxypregn-4-en-3-one

sabiork.compound:7369
sabiorkM:7369
kegg.compound:C04518
keggC:C04518
MASCESDECGBIBB-HNXXTFFGSA-N 		17alpha,20alpha-Dihydroxypregn-4-en-3-one
hmdb:HMDB0011653
MASCESDECGBIBB-HNXXTFFGSA-N 		17alpha,20alpha-Dihydroxypregn-4-en-3-one
(1S,2R,10R,11S,14R,15S)-14-hydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(20S)-17,20-Dihydroxypregn-4-en-3-one
17 alpha, 20 alpha-OHP
17 alpha, 20 alpha-P
17,20 alpha-OHP
17,20a-Dihydroxy-4-pregnen-3-one
17,20a-Dihydroxy-pregn-4-en-3-one
17,20alpha-Dihydroxy-4-pregnen-3-one
17,20alpha-Dihydroxy-pregn-4-en-3-one
17-a,20-a-Dihydroxypregn-4-en-3-one
17-alpha,20-alpha-Dihydroxypregn-4-en-3-one
17-alpha,20-alpha-dihydroxypregn-4-en-3-one
17a,20a-Dihydroxy-4-pregnen-3-one
17a,20a-Dihydroxypregn-4-en-3-one
17a,20a-Dihydroxypregn-4-ene-3-one
17a,20a-Dihydroxyprogesterone
17a-Hydroxy-20a-dihydroprogesterone
17alpha,20alpha-Dihydroxy-4-pregnen-3-one
17alpha,20alpha-Dihydroxypregn-4-ene-3-one
17alpha,20alpha-Dihydroxyprogesterone
17alpha,20alpha-dihydroxypregn-4-en-3-one
17alpha-Hydroxy-20alpha-dihydroprogesterone
20a-Dihydroxyprogesterone
20alpha-Dihydroxyprogesterone
4-Pregnen-17a, 20a-diol-3-one
4-Pregnen-17alpha, 20alpha-diol-3-one
Pregn-4-ene-17a,20a-diol-3-one
Pregn-4-ene-17alpha,20alpha-diol-3-one

seed.compound:cpd02750
seedM:cpd02750
MASCESDECGBIBB-HNXXTFFGSA-N 		17alpha,20alpha-Dihydroxypregn-4-en-3-one
(20S)-17,20-dihydroxypregn-4-en-3-one
17-alpha,20-alpha-dihydroxypregn-4-en-3-one
17alpha,20alpha-dihydroxypregn-4-en-3-one

hmdb:HMDB0003851
hmdb:HMDB03851
hmdb:HMDB11653
chebi:11337
chebi:19169
chebi:784
keggC:M_C04518
seedM:M_cpd02750 		secondary/obsolete/fantasy identifier