CHEBI:135797 - nicomorphine

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ChEBI Name nicomorphine
ChEBI ID CHEBI:135797
Stars This entity has been manually annotated by a third party.
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Formula C29H25N3O5
Net Charge 0
Average Mass 495.527
Monoisotopic Mass 495.17942
InChI InChI=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
InChIKey HNDXBGYRMHRUFN-CIVUWBIHSA-N
SMILES O(C(=O)C=1C=CC=NC1)[C@@H]2[C@]3([C@]45C6=C(O3)C(OC(=O)C=7C=CC=NC7)=CC=C6C[C@]([C@@]4(C=C2)[H])(N(CC5)C)[H])[H]
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 nicomorphine (CHEBI:135797) is a morphinane alkaloid (CHEBI:25418)
Synonym Source
morphine dinicotinate DrugCentral
Manual Xref Database
1918 DrugCentral
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Registry Number Type Source
639-48-5 CAS Registry Number DrugCentral
Last Modified
23 February 2017