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CHEBI:85330 - dapdiamide A

ChEBI IDCHEBI:85330
ChEBI Namedapdiamide A
Stars
DefinitionA member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC12H20N4O5
Net Charge0
Average Mass300.315
Monoisotopic Mass300.14337
SMILESCC(C)[C@H](NC(=O)[C@@H](N)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
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 A (CHEBI:85330) is a dapdiamide (CHEBI:85331)
dapdiamide A (CHEBI:85330) is a enamide (CHEBI:51751)
dapdiamide A (CHEBI:85330) is a primary carboxamide (CHEBI:140324)
dapdiamide A (CHEBI:85330) is a secondary carboxamide (CHEBI:140325)
dapdiamide A (CHEBI:85330) is tautomer of dapdiamide A zwitterion (CHEBI:84320)
Incoming Relation(s)
dapdiamide A zwitterion (CHEBI:84320) is tautomer of dapdiamide A (CHEBI:85330)
Synonym  Source
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valineIUPAC
Manual XrefsDatabases
CPD-17539MetaCyc
Registry NumbersSources
Reaxys:20499534Reaxys
Citations