CHEBI:80580 - Codeine-6-glucuronide

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ChEBI Name Codeine-6-glucuronide
ChEBI ID CHEBI:80580
Stars This entity has been manually annotated by a third party.
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Formula C24H29NO9
Net Charge 0
Average Mass 475.48840
Monoisotopic Mass 475.18423
InChI InChI=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
InChIKey CRWVOYRJXPDBPM-HSCJLHHPSA-N
SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@@H]5Oc1c2[C@]45CCN3C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Codeine-6-glucuronide (CHEBI:80580) is a morphinane alkaloid (CHEBI:25418)
Synonyms Sources
(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 HMDB
C16577 HMDB
Codeine glucuronide HMDB
Glucopyranosiduronic acid, codeine, b-D- (6CI) HMDB
Glucopyranosiduronicacid, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methylmorphinan-6a-yl, b-D- (8CI) HMDB
Morphinan, 7,8-didehydro-4,5a-epoxy-6a-(b-D-glucopyranuronosyloxy)-3-methoxy-17-methyl- (8CI) HMDB
Manual Xrefs Databases
C16577 KEGG COMPOUND
Codeine-6-glucuronide Wikipedia
HMDB0060464 HMDB
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Registry Number Type Source
20736-11-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11092114 PubMed citation Europe PMC
15102399 PubMed citation Europe PMC
16258895 PubMed citation Europe PMC
20484152 PubMed citation Europe PMC
21447597 PubMed citation Europe PMC
9448068 PubMed citation Europe PMC
Last Modified
23 October 2015