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ChEBI
> Main
CHEBI:77065 - β-citrylglutamic acid
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ChEBI Name
β-citrylglutamic acid
ChEBI ID
CHEBI:77065
ChEBI ASCII Name
beta-citrylglutamic acid
Definition
An
N
-acyl-
L
-glutamic acid in which the acyl group is specified as β-citryl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H15NO10
Net Charge
0
Average Mass
321.23750
Monoisotopic Mass
321.06960
InChI
InChI=1S/C11H15NO10/c13-
6(14)
2-
1-
5(9(19)
20)
12-
10(21)
11(22,3-
7(15)
16)
4-
8(17)
18/h5,22H,1-
4H2,(H,12,21)
(H,13,14)
(H,15,16)
(H,17,18)
(H,19,20)
/t5-
/m0/s1
InChIKey
GAQNUGISBQJMKO-YFKPBYRVSA-N
SMILES
OC(=O)CC[C@H](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
iron chelator
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-citrylglutamic acid (
CHEBI:77065
)
has functional parent
citric acid (
CHEBI:30769
)
β-citrylglutamic acid (
CHEBI:77065
)
has role
human metabolite (
CHEBI:77746
)
β-citrylglutamic acid (
CHEBI:77065
)
has role
iron chelator (
CHEBI:38157
)
β-citrylglutamic acid (
CHEBI:77065
)
is a
N
-acyl-
L
-glutamic acid (
CHEBI:21650
)
β-citrylglutamic acid (
CHEBI:77065
)
is a
tetracarboxylic acid (
CHEBI:35742
)
IUPAC Name
N
-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-
L
-glutamic acid
Synonyms
Sources
beta-CG
HMDB
β-citryl-
L
-glutamic acid
ChEBI
beta-Citryl-L-glutamic acid
ChemIDplus
beta-Citrylglutamic acid
ChemIDplus
Manual Xref
Database
HMDB0013220
HMDB
View more database links
Registry Number
Type
Source
69281-09-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
20460747
PubMed citation
Europe PMC
6983891
PubMed citation
Europe PMC
7067131
PubMed citation
Europe PMC
7205274
PubMed citation
Europe PMC
728476
PubMed citation
Europe PMC
7320722
PubMed citation
Europe PMC
8549681
PubMed citation
Europe PMC
Last Modified
25 March 2015