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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:18054 - diphthine
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ChEBI Name
diphthine
ChEBI ID
CHEBI:18054
Definition
A quaternary ammonium ion consisting of
L
-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14182, CHEBI:4644, CHEBI:23841
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Formula
C13H23N4O4
Net Charge
+1
Average Mass
299.34560
Monoisotopic Mass
299.17138
InChI
InChI=1S/C13H22N4O4/c1-
17(2,3)
10(13(20)
21)
4-
5-
11-
15-
7-
8(16-
11)
6-
9(14)
12(18)
19/h7,9-
10H,4-
6,14H2,1-
3H3,(H2-
,15,16,18,19,20,21)
/p+1/t9-
,10-
/m0/s1
InChIKey
CBQVLMCHMFGPMX-UWVGGRQHSA-O
SMILES
C[N+](C)(C)[C@@H](CCc1nc(C[C@H](N)C(O)=O)c[nH]1)C(O)=O
ChEBI Ontology
Outgoing
diphthine (
CHEBI:18054
)
is a
quaternary ammonium ion (
CHEBI:35267
)
diphthine (
CHEBI:18054
)
is conjugate acid of
diphthinate (
CHEBI:58361
)
Incoming
diphthinate (
CHEBI:58361
)
is conjugate base of
diphthine (
CHEBI:18054
)
diphthine betaine residue (
CHEBI:82696
)
is substituent group from
diphthine (
CHEBI:18054
)
diphthine residue (
CHEBI:48230
)
is substituent group from
diphthine (
CHEBI:18054
)
IUPAC Name
(1
S
)-
3-
{4-
[(2
S
)-
2-
amino-
2-
carboxyethyl]-
1
H
-
imidazol-
2-
yl}-
1-
carboxy-
N
,
N
,
N
-
trimethylpropan-
1-
aminium
Synonyms
Sources
2-[(3
S
)-3-carboxy-3-(trimethylammonio)propyl]-
L
-histidine
ChEBI
Diphthine
KEGG COMPOUND
Diphthine
KEGG COMPOUND
EF-2 diphthine
KEGG COMPOUND
Elongation factor 2 diphthine
KEGG COMPOUND
Manual Xref
Database
C01573
KEGG COMPOUND
View more database links
Registry Number
Type
Source
75645-23-7
CAS Registry Number
ChemIDplus
Last Modified
07 January 2015