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Codeine-6-glucuronide

PropertiesImage
MNX_IDMNXM11141 Image of MNXM11141
referencechebi:80580
formulaC24H29NO9
global charge0
mol weight475.494
InChIKeyCRWVOYRJXPDBPM-HSCJLHHPSA-N
InChIInChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1
SMILESCOC1=CC=C2C[C@@H]3[C@@H]4C=C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]5OC1=C2[C@]45CCN3C
MNX internals
InChI (mnx)InChI=1/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1 Image of MNXM11141
SMILES (mnx)[CH3:1][N:25]1[CH2:8][CH2:7][C@@:24]23[C@H:11]4[CH:4]=[CH:6][C@H:14]([O:32][C@H:23]5[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:17]([OH:27])[C@@H:20]([C:22](=[O:29])[OH:30])[O:34]5)[C@@H:21]2[O:33][C:19]2=[C:13]([O:31][CH3:2])[CH:5]=[CH:3][C:10](=[C:15]23)[CH2:9][C@H:12]41
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80580
chebi:80580
CRWVOYRJXPDBPM-HSCJLHHPSA-N 		Codeine-6-glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),15-tetraen-14-yl]oxy}oxane-2-carboxylic acid
C16577
Codeine glucuronide
Glucopyranosiduronic acid, codeine, b-D- (6CI)
Glucopyranosiduronicacid, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methylmorphinan-6a-yl, b-D- (8CI)
Morphinan, 7,8-didehydro-4,5a-epoxy-6a-(b-D-glucopyranuronosyloxy)-3-methoxy-17-methyl- (8CI)

seed.compound:cpd16391
seedM:cpd16391
kegg.compound:C16577
keggC:C16577
CRWVOYRJXPDBPM-HSCJLHHPSA-N 		Codeine-6-glucuronide
hmdb:HMDB0060464
CRWVOYRJXPDBPM-HSCJLHHPSA-N 		Codeine-6-glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),15-tetraen-14-yl]oxy}oxane-2-carboxylic acid
codeine-6-glucuronide

hmdb:HMDB60464
keggC:M_C16577
seedM:M_cpd16391 		secondary/obsolete/fantasy identifier