CHEBI:85332 - dapdiamide B

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ChEBI Name dapdiamide B
ChEBI ID CHEBI:85332
Definition A member of the family of dapdiamides consisting of alanylisoleucine, 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 C13H22N4O5
Net Charge 0
Average Mass 314.33760
Monoisotopic Mass 314.15902
InChI InChI=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
InChIKey WSFQKSIBZODGPB-RWWNVWANSA-N
SMILES CC[C@H](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 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 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 Xref Database
CPD-17540 MetaCyc
View more database links
Registry Number Type Source
20499539 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19807062 PubMed citation Europe PMC
20041689 PubMed citation Europe PMC
Last Modified
07 March 2018