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17alpha-hydroxypregn-5-ene-3,20-dione

PropertiesImage
MNX_IDMNXM8029 Image of MNXM8029
referencechebi:63843
formulaC21H30O3
global charge0
mol weight330.468
InChIKeyRCFJDVCRANOZEL-CEGNMAFCSA-N
InChIInChI=1S/C21H30O3/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/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILESCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H30O3/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/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 Image of MNXM8029
SMILES (mnx)[CH3:1][C:13]([C@@:21]1([OH:24])[CH2:11][CH2:8][C@H:18]2[C@@H:16]3[CH2:5][CH:4]=[C:14]4[CH2:12][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])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-196366
reactomeM:R-ALL-196366
CHEBI:63843
chebi:63843
RCFJDVCRANOZEL-CEGNMAFCSA-N 		17alpha-hydroxypregn-5-ene-3,20-dione
17-Hydroxypregnenedione
17-hydroxypregn-5-ene-3,20-dione
pregn-5-ene-3,20-dione-17-ol

metacyc.compound:CPD66-27
metacycM:CPD66-27
RCFJDVCRANOZEL-CEGNMAFCSA-N 		17alpha-hydroxypregn-5-ene-3,20-dione
pregn-5-ene-3,20-dione-17-ol

bigg.metabolite:M02761
biggM:M02761
RCFJDVCRANOZEL-CEGNMAFCSA-N 		Pregn-5-Ene-3,20-Dione-17-Ol

vmhM:M02761
vmhmetabolite:M02761
RCFJDVCRANOZEL-CEGNMAFCSA-N 		Pregn-5-Ene-3,20-Dione-17-Ol
(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-one

seed.compound:cpd26603
seedM:cpd26603
RCFJDVCRANOZEL-CEGNMAFCSA-N 		pregn-5-ene-3,20-dione-17-ol
hmdb:HMDB0062522
RCFJDVCRANOZEL-CEGNMAFCSA-N 		pregn-5-ene-3,20-dione-17-ol
(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-one
17-Hydroxypregnenedione
17a-Hydroxypregn-5-ene-3,20-dione
17alpha-hydroxypregn-5-ene-3,20-dione
Pregn-5-ene-3,20-dione-17-ol

hmdb:HMDB62522
biggM:M_M02761
seedM:M_cpd26603
vmhM:M_M02761 		secondary/obsolete/fantasy identifier