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CHEBI:76046 - (+)-(S)-alapyridaine

ChEBI IDCHEBI:76046
ChEBI Name(+)-(S)-alapyridaine
Stars
ASCII Name(+)-(S)-alapyridaine
DefinitionAn iminium betaine that is L-alanine in which the amino group is replaced by a 5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl moiety.
Last Modified21 May 2015
SubmitterKAX
DownloadsMolfile
FormulaC9H11NO4
Net Charge0
Average Mass197.190
Monoisotopic Mass197.06881
SMILESC[C@@H](C(=O)[O-])[n+]1cc(O)ccc1CO
InChIInChI=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
InChIKeyIGOUMBTVEMUDSU-LURJTMIESA-N
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
(+)-(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 
(2S)-2-[5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl]propanoate
Synonyms  Source
N-(1-carboxyethyl)-6-hydroxymethyl-pyridinium-3-olSUBMITTER
(S)-alapyridaineChEBI
Registry NumbersSources
Reaxys:9553168Reaxys
Citations