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CHEBI:57580 - diphthamide zwitterion

ChEBI IDCHEBI:57580
ChEBI Namediphthamide zwitterion
Stars
DefinitionA zwitterionic tautomer of diphthamide having an anionic carboxy group and a protonated primary amino group.
Last Modified14 August 2014
DownloadsMolfile
FormulaC13H24N5O3
Net Charge+1
Average Mass298.367
Monoisotopic Mass298.18737
SMILESC[N+](C)(C)[C@@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])n1)C(N)=O
InChIInChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10-/m0/s1
InChIKeyFOOBQHKMWYGHCE-UWVGGRQHSA-O
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
diphthamide zwitterion (CHEBI:57580) is a quaternary ammonium ion (CHEBI:35267)
diphthamide zwitterion (CHEBI:57580) is tautomer of diphthamide (CHEBI:15949)
Incoming Relation(s)
diphthamide (CHEBI:15949) is tautomer of diphthamide zwitterion (CHEBI:57580)
IUPAC Name 
(2S)-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-4-yl}-2-azaniumylpropanoate
Manual XrefsDatabases
DiphthamideWikipedia