Summary

IMPPAT Phytochemical identifier: IMPHY004066

Phytochemical name: 2-Thioxothiazolidine-4-carboxylic acid

Synonymous chemical names:
2-thioxo thiazolidine-4-carboxylic acid, 2-thioxothiazolidine-4-carboxylic acid, 2-thioxothioazolidine-4-carboxylic acid

External chemical identifiers:
CID:3034757, ChEBI:166452, SureChEMBL:SCHEMBL3892885, MolPort-004-850-131

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Chemical structure information

SMILES:
OC(=O)C1CSC(=S)N1

InChI:
InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)

InChIKey:
SQUOCHQOQMZGQP-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCSC=S)N5

Functional groups:
CC(=O)O, S=C1NCCS1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=C1NCCS1

Scaffold Graph/Node level:
SC1NCCS1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.014

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Chemical structure download