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ChEBI
> Main
CHEBI:74509 - Val-FMDP
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ChEBI Ontology
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ChEBI Name
Val-FMDP
ChEBI ID
CHEBI:74509
Definition
A dipeptide composed of 3-{[(2
E
)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and
L
-valine joined by peptide linkages.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H21N3O6
Net Charge
0
Average Mass
315.32230
Monoisotopic Mass
315.14304
InChI
InChI=1S/C13H21N3O6/c1-
7(2)
11(13(20)
21)
16-
12(19)
8(14)
6-
15-
9(17)
4-
5-
10(18)
22-
3/h4-
5,7-
8,11H,6,14H2,1-
3H3,(H,15,17)
(H,16,19)
(H,20,21)
/b5-
4+/t8?,11-
/m0/s1
InChIKey
JRYYPGRGZBRRME-FPWJMTENSA-N
SMILES
COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](C(C)C)C(O)=O
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
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Val-FMDP (
CHEBI:74509
)
has functional parent
3-aminoalanine (
CHEBI:18383
)
Val-FMDP (
CHEBI:74509
)
has functional parent
L
-valine (
CHEBI:16414
)
Val-FMDP (
CHEBI:74509
)
has role
metabolite (
CHEBI:25212
)
Val-FMDP (
CHEBI:74509
)
is a
dicarboxylic acid monoester (
CHEBI:36244
)
Val-FMDP (
CHEBI:74509
)
is a
dipeptide (
CHEBI:46761
)
Val-FMDP (
CHEBI:74509
)
is a
methyl ester (
CHEBI:25248
)
IUPAC Names
(2
S
)-
2-
[(2-
amino-
3-
{[(2
E
)-
4-
methoxy-
4-
oxobut-
2-
enoyl]amino}propanoyl)amino]-
3-
methylbutanoic acid
3-{[(2
E
)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-
L
-valine
Manual Xref
Database
CPD0-1911
MetaCyc
View more database links
Last Modified
03 March 2015