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CHEBI:192370 - E64 zwitterion

ChEBI IDCHEBI:192370
ChEBI NameE64 zwitterion
Stars
DefinitionZwitterionic form of E64, a compound isolated from Aspergillus japonicus, resulting from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC15H27N5O5
Net Charge0
Average Mass357.411
Monoisotopic Mass357.20122
SMILESCC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)[O-])C(=O)NCCCCNC(N)=[NH2+]
InChIInChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
InChIKeyLTLYEAJONXGNFG-DCAQKATOSA-N
ChEBI Ontology
Outgoing Relation(s)
E64 zwitterion (CHEBI:192370) is a zwitterion (CHEBI:27369)
E64 zwitterion (CHEBI:192370) is tautomer of E64 (CHEBI:30270)
Incoming Relation(s)
E64 (CHEBI:30270) is tautomer of E64 zwitterion (CHEBI:192370)
Synonym  Source
(2S,3S)-3-{[(1S)-1-[(4-{[amino(iminiumyl)methyl]amino}butyl)carbamoyl]-3-methylbutyl]carbamoyl}oxirane-2-carboxylateSUBMITTER
UniProt Name  Source
E64UniProt