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CHEBI:85332 - dapdiamide B

ChEBI IDCHEBI:85332
ChEBI Namedapdiamide B
Stars
DefinitionA member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC13H22N4O5
Net Charge0
Average Mass314.342
Monoisotopic Mass314.15902
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)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
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549) - PubMed (20041689) Strain: CU0119
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dapdiamide B (CHEBI:85332) is a dapdiamide (CHEBI:85331)
dapdiamide B (CHEBI:85332) is a enamide (CHEBI:51751)
dapdiamide B (CHEBI:85332) is a primary carboxamide (CHEBI:140324)
dapdiamide B (CHEBI:85332) is a secondary carboxamide (CHEBI:140325)
dapdiamide B (CHEBI:85332) is tautomer of dapdiamide B zwitterion (CHEBI:84321)
Incoming Relation(s)
dapdiamide B zwitterion (CHEBI:84321) is tautomer of dapdiamide B (CHEBI:85332)
IUPAC Name 
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine
Manual XrefsDatabases
CPD-17540MetaCyc
Registry NumbersSources
Reaxys:20499539Reaxys
Citations