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CHEBI:18054 - diphthine

ChEBI IDCHEBI:18054
ChEBI Namediphthine
Stars
DefinitionA quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
Secondary ChEBI IDsCHEBI:4644, CHEBI:14182, CHEBI:23841
Last Modified7 January 2015
DownloadsMolfile
FormulaC13H23N4O4
Net Charge+1
Average Mass299.351
Monoisotopic Mass299.17138
SMILESC[N+](C)(C)[C@@H](CCc1ncc(C[C@H](N)C(=O)O)n1)C(=O)O
InChIInChI=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
InChIKeyCBQVLMCHMFGPMX-UWVGGRQHSA-O
ChEBI Ontology
Outgoing Relation(s)
diphthine (CHEBI:18054) is a quaternary ammonium ion (CHEBI:35267)
diphthine (CHEBI:18054) is conjugate acid of diphthinate (CHEBI:58361)
Incoming Relation(s)
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 
(1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethylpropan-1-aminium
Synonyms  Source
DiphthineKEGG COMPOUND
2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidineChEBI
DiphthineKEGG COMPOUND
EF-2 diphthineKEGG COMPOUND
Elongation factor 2 diphthineKEGG COMPOUND
Manual XrefsDatabases
C01573KEGG COMPOUND
C01573KEGG COMPOUND
Registry NumbersSources
CAS:75645-23-7ChemIDplus