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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:66874 - carnosinate
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ChEBI Ontology
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ChEBI Name
carnosinate
ChEBI ID
CHEBI:66874
Definition
An
N
-acyl-
L
-α-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H13N4O3
Net Charge
-1
Average Mass
225.22450
Monoisotopic Mass
225.09931
InChI
InChI=1S/C9H14N4O3/c10-
2-
1-
8(14)
13-
7(9(15)
16)
3-
6-
4-
11-
5-
12-
6/h4-
5,7H,1-
3,10H2,(H,11,12)
(H,13,14)
(H,15,16)
/p-
1/t7-
/m0/s1
InChIKey
CQOVPNPJLQNMDC-ZETCQYMHSA-M
SMILES
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C([O-])=O
ChEBI Ontology
Outgoing
carnosinate (
CHEBI:66874
)
is a
N
-acyl-
L
-α-amino acid anion (
CHEBI:59874
)
carnosinate (
CHEBI:66874
)
is conjugate base of
carnosine (
CHEBI:15727
)
carnosinate (
CHEBI:66874
)
is conjugate base of
carnosine zwitterion (
CHEBI:57485
)
Incoming
carnosine (
CHEBI:15727
)
is conjugate acid of
carnosinate (
CHEBI:66874
)
carnosine zwitterion (
CHEBI:57485
)
is conjugate acid of
carnosinate (
CHEBI:66874
)
IUPAC Name
(2
S
)-2-(β-alanylamino)-3-(1
H
-imidazol-4-yl)propanoate
Synonyms
Sources
carnosinate anion
ChEBI
carnosinate(1−)
ChEBI
N
α
-(β-alanyl)-
L
-histidinate
ChEBI
Registry Number
Type
Source
6337985
Reaxys Registry Number
Reaxys
Last Modified
31 July 2012