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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
ChEBI ID CHEBI:73763
ChEBI ASCII Name 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
Definition An amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H20N4O4
Net Charge 0
Average Mass 284.31160
Monoisotopic Mass 284.14846
InChI InChI=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
InChIKey GFBGZDGVFNNXRE-IENPIDJESA-N
SMILES C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Last Modified
23 May 2013