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ChEBI
> Main
CHEBI:135797 - nicomorphine
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ChEBI Ontology
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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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nicomorphine (
CHEBI:135797
)
is a
morphinane alkaloid (
CHEBI:25418
)
Synonym
Source
morphine dinicotinate
DrugCentral
Manual Xref
Database
1918
DrugCentral
View more database links
Registry Number
Type
Source
639-48-5
CAS Registry Number
DrugCentral
Last Modified
23 February 2017