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CHEBI:135797 - nicomorphine

ChEBI IDCHEBI:135797
ChEBI Namenicomorphine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H25N3O5
Net Charge0
Average Mass495.535
Monoisotopic Mass495.17942
SMILES[H][C@@]12C=C[C@H](OC(=O)c3cccnc3)[C@]3([H])Oc4c(OC(=O)c5cccnc5)ccc5c4[C@]13CCN(C)[C@]2([H])C5
InChIInChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1
InChIKeyHNDXBGYRMHRUFN-CIVUWBIHSA-N
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)
nicomorphine (CHEBI:135797) is a morphinane alkaloid (CHEBI:25418)
Synonym  Source
morphine dinicotinateDrugCentral
Manual XrefsDatabases
1918DrugCentral
Registry NumbersSources
CAS:639-48-5DrugCentral