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CHEBI:16461 - tauropine

ChEBI IDCHEBI:16461
ChEBI Nametauropine
Stars
DefinitionA derivative of L-alanine having a 2-sulfoethyl group attached to the α-nitrogen.
Secondary ChEBI IDsCHEBI:9413, CHEBI:15201, CHEBI:26860
Last Modified1 December 2014
DownloadsMolfile
FormulaC5H11NO5S
Net Charge0
Average Mass197.212
Monoisotopic Mass197.03579
SMILESC[C@@H](NCCS(=O)(=O)O)C(=O)O
InChIInChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/t4-/m1/s1
InChIKeyVHYQDLYSULDZSO-SCSAIBSYSA-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)
tauropine (CHEBI:16461) has functional parent taurine (CHEBI:15891)
tauropine (CHEBI:16461) is a D-alanine derivative (CHEBI:83944)
tauropine (CHEBI:16461) is a D-α-amino acid (CHEBI:16733)
tauropine (CHEBI:16461) is a organosulfonic acid (CHEBI:33551)
tauropine (CHEBI:16461) is conjugate acid of tauropinate(1−) (CHEBI:57779)
Incoming Relation(s)
tauropinate(1−) (CHEBI:57779) is conjugate base of tauropine (CHEBI:16461)
IUPAC Name 
N-(2-sulfoethyl)-D-alanine
Synonyms  Source
TauropineKEGG COMPOUND
N2-(D-1-carboxyethyl)-2-aminoethanesulfonateIUBMB
rhodoic acidChemIDplus
N-(1-carboxyethyl)taurineChemIDplus
N2-(D-1-Carboxyethyl)taurineKEGG COMPOUND
Manual XrefsDatabases
C01616KEGG COMPOUND
Registry NumbersSources
CAS:33497-79-9KEGG COMPOUND
CAS:33497-79-9ChemIDplus