Cycloalliin (CHEBI:173815)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cycloalliin

ChEBI ID	CHEBI:173815

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H11NO3S

Net Charge

Average Mass

177.220

Monoisotopic Mass

177.04596

InChI

InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)

InChIKey

JYMHODZXTIGVPA-UHFFFAOYSA-N

SMILES

S1(=O)CC(NC(C1)C(O)=O)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Cycloalliin (CHEBI:173815) is a α-amino acid (CHEBI:33704)

IUPAC Name

5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid