Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 (Br
o
nsted 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-{[(2
E
)-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
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