CHEBI:85330 - dapdiamide A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dapdiamide A
ChEBI ID CHEBI:85330
Definition A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H20N4O5
Net Charge 0
Average Mass 300.31100
Monoisotopic Mass 300.14337
InChI InChI=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
InChIKey JAGLEOBXISHNNM-BRUQVKLWSA-N
SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O
Metabolite of Species Details
Pantoea agglomerans (NCBI:txid549) of strain CU0119 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via dapdiamide )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via dapdiamide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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-valine IUPAC
Manual Xref Database
CPD-17539 MetaCyc
View more database links
Registry Number Type Source
20499534 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19807062 PubMed citation Europe PMC
20041689 PubMed citation Europe PMC
20945916 PubMed citation Europe PMC
21520904 PubMed citation Europe PMC
Last Modified
07 March 2018