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CHEBI:84321 - dapdiamide B zwitterion

ChEBI IDCHEBI:84321
ChEBI Namedapdiamide B zwitterion
Stars
DefinitionA peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3.
Last Modified26 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H22N4O5
Net Charge0
Average Mass314.342
Monoisotopic Mass314.15902
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]
InChIInChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7-,8-,11-/m0/s1
InChIKeyWSFQKSIBZODGPB-RWWNVWANSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dapdiamide B zwitterion (CHEBI:84321) has role bacterial metabolite (CHEBI:76969)
dapdiamide B zwitterion (CHEBI:84321) is a peptide zwitterion (CHEBI:60466)
dapdiamide B zwitterion (CHEBI:84321) is tautomer of dapdiamide B (CHEBI:85332)
Incoming Relation(s)
dapdiamide B (CHEBI:85332) is tautomer of dapdiamide B zwitterion (CHEBI:84321)
IUPAC Name 
(2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate
UniProt Name  Source
dapdiamide BUniProt
Manual XrefsDatabases
CPD-17540MetaCyc
Citations