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CHEBI:173815 - Cycloalliin

ChEBI IDCHEBI:173815
ChEBI NameCycloalliin
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SubmitterMetaboLights
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FormulaC6H11NO3S
Net Charge0
Average Mass177.225
Monoisotopic Mass177.04596
SMILESCC1CS(=O)CC(C(=O)O)N1
InChIInChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyJYMHODZXTIGVPA-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cycloalliin (CHEBI:173815) is a α-amino acid (CHEBI:33704)
IUPAC Name 
5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid
Manual XrefsDatabases
HMDB0029417HMDB
19100864ChemSpider