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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.
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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
298.18737
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
(2
S
)-
3-
{2-
[(3
S
)-
4-
amino-
4-
oxo-
3-
(trimethylazaniumyl)butyl]-
1
H
-
imidazol-
4-
yl}-
2-
azaniumylpropanoate
Manual Xref
Database
Diphthamide
Wikipedia
View more database links
Last Modified
14 August 2014