CHEBI:3253 - C-Curarine

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ChEBI Name C-Curarine
ChEBI ID CHEBI:3253
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H44N4O
Net Charge +2
Average Mass 596.805
Monoisotopic Mass 596.35041
InChI InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1
InChIKey DWELRYDMYVJVSL-TUHIATKQSA-N
SMILES C\C=C1\C[N@+]2(C)CC[C@]34[C@@H]2C[C@@H]1C1=CN2c5ccccc5[C@]56CC[N@@+]7(C)C\C(=C\C)[C@H](C[C@@H]57)C5=CN(c7ccccc37)[C@]41O[C@@]265
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 C-Curarine (CHEBI:3253) is a alkaloid (CHEBI:22315)
Synonyms Sources
C-Curarine KEGG COMPOUND
C-Curarine I KEGG COMPOUND
Manual Xrefs Databases
C00001711 KNApSAcK
C09144 KEGG COMPOUND
View more database links
Registry Number Type Source
7168-64-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014