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CHEBI:73763 - 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion

ChEBI IDCHEBI:73763
ChEBI Name2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
Stars
ASCII Name2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
DefinitionAn amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine.
Last Modified23 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC12H20N4O4
Net Charge0
Average Mass284.316
Monoisotopic Mass284.14846
SMILESC[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C(=O)[O-])n1)C(=O)[O-]
InChIInChI=1S/C12H20N4O4/c1-16(2)9(12(19)20)3-4-10-14-6-7(15-10)5-8(13)11(17)18/h6,8-9H,3-5,13H2,1-2H3,(H,14,15)(H,17,18)(H,19,20)/t8-,9?/m0/s1
InChIKeyGFBGZDGVFNNXRE-IENPIDJESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763) is a amino-acid zwitterion (CHEBI:35238)
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763) is tautomer of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764)
Incoming Relation(s)
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine residue (CHEBI:73745) is substituent group from 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763)
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764) is tautomer of 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763)
IUPAC Name 
4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(dimethylazaniumyl)butanoate