(S)-2,5,5-trimethylthiazolidine-4-carboxylic acid (Q27225686)

CHEBI:141059 (English)

12 October 2016

chemical formula

C₇H₁₃NO₂S

1 reference

CHEBI:141059 (English)

12 October 2016

canonical SMILES

CC1NC(C(S1)(C)C)C(=O)O

1 reference

CHEBI:141059 (English)

12 October 2016

isomeric SMILES

CC1N[C@H](C(S1)(C)C)C(=O)O

1 reference

CHEBI:141059 (English)

InChI=1S/C7H13NO2S/c1-4-8-5(6(9)10)7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)/t4?,5-/m0/s1

12 October 2016

Identifiers

InChI

1 reference

CHEBI:141059 (English)

MQQSPQRNCBFBSG-AKGZTFGVSA-N

12 October 2016

InChIKey

2 references

CHEBI:141059 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(4S)-2,5,5-Trimethyl-1,3-thiazolidine-4-carboxylic acid (English)

12 October 2016

1 reference

(4S)-2,5,5-Trimethyl-1,3-thiazolidine-4-carboxylic acid (English)

12 October 2016

1 reference

CHEBI:141059 (English)

12 October 2016

Reaxys registry number

4462

1 reference

(S)-2,5,5-trimethylthiazolidine-4-carboxylic acid (English)

12 October 2016

ChEBI ID

141059

mapping relation type

2 references

(S)-2,5,5-trimethylthiazolidine-4-carboxylic acid (English)

matched by identifier from

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H13NO2S/c1-4-8-5(6(9)10)7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)/t4?,5-/m0/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL281438 (English)

12 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

117720