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CHEBI:232060 - balenine zwitterion

ChEBI IDCHEBI:232060
ChEBI Namebalenine zwitterion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H16N4O3
Net Charge0
Average Mass240.263
Monoisotopic Mass240.12224
SMILESCn1cnc(C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1
InChIInChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeySLRNWACWRVGMKD-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
balenine zwitterion (CHEBI:232060) is a dipeptide zwitterion (CHEBI:90799)
balenine zwitterion (CHEBI:232060) is tautomer of Balenine (CHEBI:193825)
Incoming Relation(s)
Balenine (CHEBI:193825) is tautomer of balenine zwitterion (CHEBI:232060)
Synonyms  Source
ophidine zwitterionSUBMITTER
β-alanyl-1-methyl-L-histidine zwitterionSUBMITTER
UniProt Name  Source
balenineUniProt
Manual XrefsDatabases
CPD-12186MetaCyc