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CHEBI:84322 - dapdiamide C zwitterion

ChEBI IDCHEBI:84322
ChEBI Namedapdiamide C zwitterion
Stars
DefinitionA peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3.
Last Modified26 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H22N4O5
Net Charge0
Average Mass314.342
Monoisotopic Mass314.15902
SMILESCC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]
InChIInChI=1S/C13H22N4O5/c1-7(2)5-9(13(21)22)17-12(20)8(14)6-16-11(19)4-3-10(15)18/h3-4,7-9H,5-6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b4-3+/t8-,9-/m0/s1
InChIKeyMJPKMDAPFRGJGV-FBFNWGNUSA-N
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549) - PubMed (20041689) Strain: CU0119
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dapdiamide C zwitterion (CHEBI:84322) has role bacterial metabolite (CHEBI:76969)
dapdiamide C zwitterion (CHEBI:84322) is a peptide zwitterion (CHEBI:60466)
dapdiamide C zwitterion (CHEBI:84322) is tautomer of dapdiamide C (CHEBI:85333)
Incoming Relation(s)
dapdiamide C (CHEBI:85333) is tautomer of dapdiamide C zwitterion (CHEBI:84322)
IUPAC Name 
(2S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-4-methylpentanoate
UniProt Name  Source
dapdiamide CUniProt
Manual XrefsDatabases
CPD-17541MetaCyc
Citations