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19-Oic-deoxycorticosterone

PropertiesImage
MNX_IDMNXM33830 Image of MNXM33830
referencechebi:174827
formulaC21H28O5
global charge0
mol weight360.45
InChIKeyRUPOMAOZPOVHQZ-XYNCURNNSA-N
InChIInChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)O)[C@@H]1CC[C@@H]2C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1 Image of MNXM33830
SMILES (mnx)[CH3:1][C@:20]12[CH2:8][CH2:7][C@H:16]3[C@@H:14]([CH2:3][CH2:2][C:12]4=[CH:10][C:13](=[O:23])[CH2:6][CH2:9][C@@:21]43[C:19](=[O:25])[OH:26])[C@@H:15]1[CH2:4][CH2:5][C@@H:17]2[C:18]([CH2:11][OH:22])=[O:24]
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:174827
chebi:174827
RUPOMAOZPOVHQZ-XYNCURNNSA-N 		19-Oic-deoxycorticosterone
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
hmdb:HMDB0012613
RUPOMAOZPOVHQZ-TTYNRZOGSA-N 		19-Oic-deoxycorticosterone
(2S,14S,15S)-14-(2-Hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylate
(2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid
19-Oic-11-deoxycorticosterone
19-Oic-21-hydroxy-4-pregnen-3,20-dione
19-Oic-DOC
21-Hydroxy-3,20-dioxopregn-4-en-19-Oate
21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid
21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid anion
Deoxycorticosterone-19-oic

hmdb:HMDB12613 		secondary/obsolete/fantasy identifier