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ChEBI
> Main
CHEBI:74492 - Phe-FMDP
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ChEBI Ontology
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ChEBI Name
Phe-FMDP
ChEBI ID
CHEBI:74492
Definition
A dipeptide composed of 3-{[(2
E
)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and
L
-phenylalanine joined by peptide linkages.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ZINC000039796531
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Formula
C17H21N3O6
Net Charge
0
Average Mass
363.36510
Monoisotopic Mass
363.14304
InChI
InChI=1S/C17H21N3O6/c1-
26-
15(22)
8-
7-
14(21)
19-
10-
12(18)
16(23)
20-
13(17(24)
25)
9-
11-
5-
3-
2-
4-
6-
11/h2-
8,12-
13H,9-
10,18H2,1H3,(H,19,21)
(H,20,23)
(H,24,25)
/b8-
7+/t12?,13-
/m0/s1
InChIKey
ZDSAILYUAITBJS-SSJPEIIJSA-N
SMILES
COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
Phe-FMDP (
CHEBI:74492
)
has functional parent
3-aminoalanine (
CHEBI:18383
)
Phe-FMDP (
CHEBI:74492
)
has functional parent
L
-phenylalanine (
CHEBI:17295
)
Phe-FMDP (
CHEBI:74492
)
has role
metabolite (
CHEBI:25212
)
Phe-FMDP (
CHEBI:74492
)
is a
dicarboxylic acid monoester (
CHEBI:36244
)
Phe-FMDP (
CHEBI:74492
)
is a
dipeptide (
CHEBI:46761
)
Phe-FMDP (
CHEBI:74492
)
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-
phenylpropanoic acid
3-{[(2
E
)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-
L
-phenylalanine
Manual Xref
Database
CPD0-1910
MetaCyc
View more database links
Last Modified
03 March 2015