CHEBI:16461 - tauropine

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ChEBI Name tauropine
ChEBI ID CHEBI:16461
Definition A derivative of L-alanine having a 2-sulfoethyl group attached to the α-nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9413, CHEBI:26860, CHEBI:15201
Supplier Information
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Formulae C5H11NO5S
C5H11NO5S
Net Charge 0
Average Mass 197.21000
Monoisotopic Mass 197.03579
InChI InChI=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
InChIKey VHYQDLYSULDZSO-SCSAIBSYSA-N
SMILES C[C@@H](NCCS(O)(=O)=O)C(O)=O
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 )
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ChEBI Ontology
Outgoing tauropine (CHEBI:16461) has functional parent taurine (CHEBI:15891)
tauropine (CHEBI:16461) is a D-α-amino acid (CHEBI:16733)
tauropine (CHEBI:16461) is a D-alanine derivative (CHEBI:83944)
tauropine (CHEBI:16461) is a organosulfonic acid (CHEBI:33551)
tauropine (CHEBI:16461) is conjugate acid of tauropinate(1−) (CHEBI:57779)
Incoming tauropinate(1−) (CHEBI:57779) is conjugate base of tauropine (CHEBI:16461)
IUPAC Name
N-(2-sulfoethyl)-D-alanine
Synonyms Sources
N-(1-carboxyethyl)taurine ChemIDplus
N2-(D-1-carboxyethyl)-2-aminoethanesulfonate IUBMB
N2-(D-1-Carboxyethyl)taurine KEGG COMPOUND
rhodoic acid ChemIDplus
Tauropine KEGG COMPOUND
Manual Xref Database
C01616 KEGG COMPOUND
View more database links
Registry Number Type Source
33497-79-9 CAS Registry Number ChemIDplus
Last Modified
01 December 2014