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CHEBI:3253 - C-Curarine

ChEBI IDCHEBI:3253
ChEBI NameC-Curarine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H44N4O
Net Charge+2
Average Mass596.819
Monoisotopic Mass596.35041
SMILES[H][C@]12C[C@]3([H])C4=CN5c6ccccc6[C@]67CC[N@@+]8(C)C/C(=C/C)[C@]([H])(C[C@@]68[H])C6=CN8c9ccccc9[C@@]1(CC[N@@+]2(C)C/C3=C/C)[C@]48O[C@@]657
InChIInChI=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
InChIKeyDWELRYDMYVJVSL-TUHIATKQSA-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)
C-Curarine (CHEBI:3253) is a alkaloid (CHEBI:22315)
Synonyms  Source
C-CurarineKEGG COMPOUND
C-Curarine IKEGG COMPOUND
Manual XrefsDatabases
C00001711KNApSAcK
C09144KEGG COMPOUND
Registry NumbersSources
CAS:7168-64-1KEGG COMPOUND