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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:84058 - ophthalmic acid
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ChEBI Name
ophthalmic acid
ChEBI ID
CHEBI:84058
Definition
A
L
-glutamine derivative that is
L
-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C11H19N3O6
Net Charge
0
Average Mass
289.28510
Monoisotopic Mass
289.12739
InChI
InChI=1S/C11H19N3O6/c1-
2-
7(10(18)
13-
5-
9(16)
17)
14-
8(15)
4-
3-
6(12)
11(19)
20/h6-
7H,2-
5,12H2,1H3,(H,13,18)
(H,14,15)
(H,16,17)
(H,19,20)
/t6-
,7-
/m0/s1
InChIKey
JCMUOFQHZLPHQP-BQBZGAKWSA-N
SMILES
CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ophthalmic acid (
CHEBI:84058
)
has role
biomarker (
CHEBI:59163
)
ophthalmic acid (
CHEBI:84058
)
has role
human metabolite (
CHEBI:77746
)
ophthalmic acid (
CHEBI:84058
)
is a
L
-glutamine derivative (
CHEBI:24317
)
ophthalmic acid (
CHEBI:84058
)
is conjugate acid of
Ophthalmate (
CHEBI:189750
)
Incoming
Ophthalmate (
CHEBI:189750
)
is conjugate base of
ophthalmic acid (
CHEBI:84058
)
IUPAC Name
N
-{(2
S
)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}-
L
-glutamine
Manual Xrefs
Databases
HMDB0005765
HMDB
Ophthalmic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
1716274
Reaxys Registry Number
Reaxys
495-27-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21176868
PubMed citation
Europe PMC
23632663
PubMed citation
Europe PMC
24969468
PubMed citation
Europe PMC
637852
PubMed citation
Europe PMC
Last Modified
12 August 2023