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CHEBI:57784 - 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion

ChEBI IDCHEBI:57784
ChEBI Name2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion
Stars
ASCII Name2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion
DefinitionConjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine where both carboxy groups are anionic and both the primary and secondary amino groups are protonated; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC11H18N4O4
Net Charge0
Average Mass270.289
Monoisotopic Mass270.13281
SMILESC[NH2+]C(CCc1ncc(C[C@H]([NH3+])C(=O)[O-])n1)C(=O)[O-]
InChIInChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t7-,8?/m0/s1
InChIKeyYBMOTEQVMANKGX-JAMMHHFISA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion (CHEBI:57784) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion (CHEBI:57784) is a amino-acid zwitterion (CHEBI:35238)
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion (CHEBI:57784) is conjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine (CHEBI:16475)
Incoming Relation(s)
2-[3-carboxy-3-(methylammonio)propyl]-L-histidine (CHEBI:16475) is conjugate acid of 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion (CHEBI:57784)
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine residue (CHEBI:73744) is substituent group from 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion (CHEBI:57784)
IUPAC Name 
4-{4-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(methylazaniumyl)butanoate
Synonym  Source
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine zwitterionChEBI
UniProt Name  Source
2-[3-carboxy-3-(methylammonio)propyl]-L-histidineUniProt