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CHEBI:85333 - dapdiamide C

ChEBI IDCHEBI:85333
ChEBI Namedapdiamide C
Stars
DefinitionA member of the family of dapdiamides consisting of alanylleucine, 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)C[C@H](NC(=O)[C@@H](N)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
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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
dapdiamide C (CHEBI:85333) is a dapdiamide (CHEBI:85331)
dapdiamide C (CHEBI:85333) is a enamide (CHEBI:51751)
dapdiamide C (CHEBI:85333) is a primary carboxamide (CHEBI:140324)
dapdiamide C (CHEBI:85333) is a secondary carboxamide (CHEBI:140325)
dapdiamide C (CHEBI:85333) is tautomer of dapdiamide C zwitterion (CHEBI:84322)
Incoming Relation(s)
dapdiamide C zwitterion (CHEBI:84322) is tautomer of dapdiamide C (CHEBI:85333)
IUPAC Name 
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-leucine
Manual XrefsDatabases
CPD-17541MetaCyc
Citations