CHEBI:3364 - Canthiumine

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ChEBI Name Canthiumine
ChEBI ID CHEBI:3364
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H36N4O4
Net Charge 0
Average Mass 552.665
Monoisotopic Mass 552.27366
InChI InChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/b20-19-/t27-,28-,29-,30+/m0/s1
InChIKey DTRFQNPOYWLHOU-RIINEJRYSA-N
SMILES CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)\C=C/NC(=O)[C@@H]2CCCN2C1=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Canthiumine (CHEBI:3364) is a cyclic peptide (CHEBI:23449)
Synonym Source
Canthiumine KEGG COMPOUND
Manual Xrefs Databases
C00001995 KNApSAcK
C10000 KEGG COMPOUND
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Registry Number Type Source
26195-90-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014