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CHEBI:84311 - bacilysin zwitterion

Default Structure
ChEBI IDCHEBI:84311
ChEBI Namebacilysin zwitterion
Stars
DefinitionA peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bacilysin; major species at pH 7.3.
Last Modified5 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H18N2O5
Net Charge0
Average Mass270.285
Monoisotopic Mass270.12157
SMILESC[C@H]([NH3+])C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)[O-]
InChIInChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1
InChIKeyXFOUAXMJRHNTOP-PFQXTLEHSA-N
ChEBI Ontology
Outgoing Relation(s)
bacilysin zwitterion (CHEBI:84311) is a dipeptide zwitterion (CHEBI:90799)
bacilysin zwitterion (CHEBI:84311) is tautomer of bacilysin (CHEBI:72687)
Incoming Relation(s)
bacilysin (CHEBI:72687) is tautomer of bacilysin zwitterion (CHEBI:84311)
IUPAC Name 
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]propanoate
UniProt Name  Source
bacilysinUniProt
Manual XrefsDatabases
CPD-17508MetaCyc