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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:76046 - (+)-(
S
)-alapyridaine
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ChEBI Ontology
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ChEBI Name
(+)-(
S
)-alapyridaine
ChEBI ID
CHEBI:76046
ChEBI ASCII Name
(+)-(S)-alapyridaine
Definition
An iminium betaine that is
L
-alanine in which the amino group is replaced by a 5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl moiety.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C9H11NO4
Net Charge
0
Average Mass
197.18790
Monoisotopic Mass
197.06881
InChI
InChI=1S/C9H11NO4/c1-6(9(13)14)10-4-8(12)3-2-7(10)5-11/h2-4,6,11H,5H2,1H3,(H-,12,13,14)/t6-/m0/s1
InChIKey
IGOUMBTVEMUDSU-LURJTMIESA-N
SMILES
C[C@@H](C([O-])=O)[n+]1cc(O)ccc1CO
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-(
S
)-alapyridaine (
CHEBI:76046
)
has functional parent
L
-alanine (
CHEBI:16977
)
(+)-(
S
)-alapyridaine (
CHEBI:76046
)
has role
flavouring agent (
CHEBI:35617
)
(+)-(
S
)-alapyridaine (
CHEBI:76046
)
is a
iminium betaine (
CHEBI:35285
)
IUPAC Name
(2
S
)-2-[5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl]propanoate
Synonyms
Sources
(
S
)-alapyridaine
ChEBI
N
-(1-carboxyethyl)-6-hydroxymethyl-pyridinium-3-ol
SUBMITTER
Registry Number
Type
Source
9553168
Reaxys Registry Number
Reaxys
Citation
Type
Source
12826533
PubMed citation
SUBMITTER
Last Modified
21 May 2015