CHEBI:57580 - diphthamide zwitterion

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ChEBI Name diphthamide zwitterion
ChEBI ID CHEBI:57580
Definition A zwitterionic tautomer of diphthamide having an anionic carboxy group and a protonated primary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H24N5O3
Net Charge +1
Average Mass 298.36080
Monoisotopic Mass 298.188
InChI InChI=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
InChIKey FOOBQHKMWYGHCE-UWVGGRQHSA-O
SMILES C[N+](C)(C)[C@@H](CCc1nc(C[C@H]([NH3+])C([O-])=O)c[nH]1)C(N)=O
ChEBI Ontology
Outgoing diphthamide zwitterion (CHEBI:57580) is a quaternary ammonium ion (CHEBI:35267)
diphthamide zwitterion (CHEBI:57580) is tautomer of diphthamide (CHEBI:15949)
Incoming 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 Xref Database
Diphthamide Wikipedia
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Last Modified
14 August 2014