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ChEBI
> Main
CHEBI:90168 - β-citryl-Glu-Glu
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ChEBI Name
β-citryl-Glu-Glu
ChEBI ID
CHEBI:90168
ChEBI ASCII Name
beta-citryl-Glu-Glu
Definition
A dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a β-citryl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H22N2O13
Net Charge
0
Average Mass
450.352
Monoisotopic Mass
450.11219
InChI
InChI=1S/C16H22N2O13/c19-
9(20)
3-
1-
7(13(27)
17-
8(14(28)
29)
2-
4-
10(21)
22)
18-
15(30)
16(31,5-
11(23)
24)
6-
12(25)
26/h7-
8,31H,1-
6H2,(H,17,27)
(H,18,30)
(H,19,20)
(H,21,22)
(H,23,24)
(H,25,26)
(H,28,29)
/t7-
,8-
/m0/s1
InChIKey
JVZWBVAMDACIET-YUMQZZPRSA-N
SMILES
N([C@H](C(N[C@H](C(=O)O)CCC(=O)O)=O)CCC(=O)O)C(=O)C(CC(=O)O)(CC(O)=O)O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-citryl-Glu-Glu (
CHEBI:90168
)
has functional parent
citric acid (
CHEBI:30769
)
β-citryl-Glu-Glu (
CHEBI:90168
)
has functional parent
Glu-Glu (
CHEBI:5390
)
β-citryl-Glu-Glu (
CHEBI:90168
)
is a
dipeptide (
CHEBI:46761
)
β-citryl-Glu-Glu (
CHEBI:90168
)
is conjugate acid of
β-citryl-
L
-glutamyl-
L
-glutamate (
CHEBI:167458
)
Incoming
β-citryl-
L
-glutamyl-
L
-glutamate (
CHEBI:167458
)
is conjugate base of
β-citryl-Glu-Glu (
CHEBI:90168
)
IUPAC Name
L
-
[3-
carboxy-
2-
(carboxymethyl)-
2-
hydroxypropanoyl]-
L
-
α-
glutamyl-
L
-
glutamic acid
Synonyms
Sources
β-citryl-
L
-Glu-
L
-Glu
ChEBI
β-citryl-
L
-glutamyl-
L
-glutamic acid
ChEBI
Last Modified
28 January 2016