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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:85333 - dapdiamide C
Main
ChEBI Ontology
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ChEBI Name
dapdiamide C
ChEBI ID
CHEBI:85333
Definition
A member of the family of dapdiamides consisting of alanylleucine, 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.
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Formula
C13H22N4O5
Net Charge
0
Average Mass
314.33760
Monoisotopic Mass
314.15902
InChI
InChI=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
InChIKey
MJPKMDAPFRGJGV-FBFNWGNUSA-N
SMILES
CC(C)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 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
dapdiamide C zwitterion (
CHEBI:84322
)
is tautomer of
dapdiamide C (
CHEBI:85333
)
IUPAC Name
3-{[(2
E
)-4-amino-4-oxobut-2-enoyl]amino}-
L
-alanyl-
L
-leucine
Manual Xref
Database
CPD-17541
MetaCyc
View more database links
Citations
Types
Sources
19807062
PubMed citation
Europe PMC
20041689
PubMed citation
Europe PMC
Last Modified
07 March 2018