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CHEBI:137991 - β-Asp-Arg zwitterion

ChEBI IDCHEBI:137991
ChEBI Nameβ-Asp-Arg zwitterion
Stars
ASCII Namebeta-Asp-Arg zwitterion
DefinitionA dipeptide zwitterion obtained by transfer of two protons from the carboxy to the amino and guanidino groups of β-Asp-Arg; major species at pH 7.3.
Last Modified25 October 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H19N5O5
Net Charge0
Average Mass289.292
Monoisotopic Mass289.13862
SMILESNC(=[NH2+])NCCC[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChIKeyQCGCETFHYOEVAI-WDSKDSINSA-N
ChEBI Ontology
Outgoing Relation(s)
β-Asp-Arg zwitterion (CHEBI:137991) is a dipeptide zwitterion (CHEBI:90799)
β-Asp-Arg zwitterion (CHEBI:137991) is tautomer of β-Asp-Arg (CHEBI:55435)
Incoming Relation(s)
β-Asp-Arg (CHEBI:55435) is tautomer of β-Asp-Arg zwitterion (CHEBI:137991)
IUPAC Name 
(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate
Synonyms  Source
β-L-Asp-L-Arg zwitterionChEBI
β-aspartylarginine zwitterionChEBI
β-L-aspartyl-L-arginine zwitterionChEBI
UniProt Name  Source
L-4-(L-arginin-2-N-yl)aspartateUniProt