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CHEBI:80580 - Codeine-6-glucuronide

ChEBI IDCHEBI:80580
ChEBI NameCodeine-6-glucuronide
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC24H29NO9
Net Charge0
Average Mass475.494
Monoisotopic Mass475.18423
SMILES[H][C@@]12C=C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5
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
InChIKeyCRWVOYRJXPDBPM-HSCJLHHPSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (9448068)
blood (UBERON:0000178) PubMed (9448068)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Codeine-6-glucuronide (CHEBI:80580) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
(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 acidHMDB
Glucopyranosiduronic acid, codeine, b-D- (6CI)HMDB
Glucopyranosiduronicacid, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methylmorphinan-6a-yl, b-D- (8CI)HMDB
Codeine glucuronideHMDB
C16577HMDB
Morphinan, 7,8-didehydro-4,5a-epoxy-6a-(b-D-glucopyranuronosyloxy)-3-methoxy-17-methyl- (8CI)HMDB
Manual XrefsDatabases
C16577KEGG COMPOUND
Codeine-6-glucuronideWikipedia
HMDB0060464HMDB
Registry NumbersSources
CAS:20736-11-2KEGG COMPOUND
Citations