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CHEBI:3258 - CB3717

ChEBI IDCHEBI:3258
ChEBI NameCB3717
Stars
Last Modified3 December 2014
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FormulaC24H23N5O6
Net Charge0
Average Mass477.477
Monoisotopic Mass477.16483
SMILESC#CCN(Cc1ccc2nc(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
InChIKeyLTKHPMDRMUCUEB-IBGZPJMESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
CB3717 (CHEBI:3258) is a N-acyl-L-glutamic acid (CHEBI:21650)
Synonym  Source
CB3717KEGG COMPOUND
Manual XrefsDatabases
C11737KEGG COMPOUND
CB3PDBeChem