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CHEBI:84320 - dapdiamide A zwitterion

ChEBI IDCHEBI:84320
ChEBI Namedapdiamide A zwitterion
Stars
DefinitionA peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3.
Last Modified26 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H20N4O5
Net Charge0
Average Mass300.315
Monoisotopic Mass300.14337
SMILESCC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]
InChIInChI=1S/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1
InChIKeyJAGLEOBXISHNNM-BRUQVKLWSA-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 A zwitterion (CHEBI:84320) has role bacterial metabolite (CHEBI:76969)
dapdiamide A zwitterion (CHEBI:84320) is a peptide zwitterion (CHEBI:60466)
dapdiamide A zwitterion (CHEBI:84320) is tautomer of dapdiamide A (CHEBI:85330)
Incoming Relation(s)
dapdiamide A (CHEBI:85330) is tautomer of dapdiamide A zwitterion (CHEBI:84320)
IUPAC Name 
(2S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylbutanoate
UniProt Name  Source
dapdiamide AUniProt
Manual XrefsDatabases
CPD-17539MetaCyc
Citations