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CHEBI:140298 - glutaurine zwitterion

Default Structure
ChEBI IDCHEBI:140298
ChEBI Nameglutaurine zwitterion
Stars
DefinitionA dipeptide zwitterion that is glutaurine in which a proton has been transferred from the carboxy group to the α-amino group.
Last Modified1 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H14N2O6S
Net Charge0
Average Mass254.264
Monoisotopic Mass254.05726
SMILES[NH3+][C@@H](CCC(=O)NCCS(=O)(=O)O)C(=O)[O-]
InChIInChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1
InChIKeyWGXUDTHMEITUBO-YFKPBYRVSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Applications:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
ChEBI Ontology
Outgoing Relation(s)
glutaurine zwitterion (CHEBI:140298) has role anticonvulsant (CHEBI:35623)
glutaurine zwitterion (CHEBI:140298) has role anxiolytic drug (CHEBI:35474)
glutaurine zwitterion (CHEBI:140298) has role hormone (CHEBI:24621)
glutaurine zwitterion (CHEBI:140298) is a dipeptide zwitterion (CHEBI:90799)
glutaurine zwitterion (CHEBI:140298) is conjugate acid of glutaurine(1−) (CHEBI:140299)
glutaurine zwitterion (CHEBI:140298) is tautomer of glutaurine (CHEBI:27694)
Incoming Relation(s)
glutaurine(1−) (CHEBI:140299) is conjugate base of glutaurine zwitterion (CHEBI:140298)
glutaurine (CHEBI:27694) is tautomer of glutaurine zwitterion (CHEBI:140298)
IUPAC Name 
(2S)-2-azaniumyl-5-oxo-5-[(2-sulfoethyl)amino]pentanoate