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CHEBI:74042 - 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion

ChEBI IDCHEBI:74042
ChEBI Name2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion
Stars
ASCII Name2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion
DefinitionA 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion arising from transfer of two protons from the carboxy to the amino groups of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine.
Last Modified10 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC10H16N4O4
Net Charge0
Average Mass256.262
Monoisotopic Mass256.11715
SMILES[NH3+][C@@H](CCc1ncc(C[C@H]([NH3+])C(=O)[O-])n1)C(=O)[O-]
InChIInChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1
InChIKeyCJCSNWWKPUXVRD-BQBZGAKWSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042) is a 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion (CHEBI:58031)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042) is tautomer of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine (CHEBI:74043)
Incoming Relation(s)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine zwitterion residue (CHEBI:73995) is substituent group from 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine (CHEBI:74043) is tautomer of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042)
IUPAC Name 
(2S)-2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}butanoate
Synonym  Source
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine zwitterionChEBI