Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001895

Phytochemical name: S-Methyl-L-cysteine sulfoxide

Synonymous chemical names:
(+)s-methyl-l-cysteine sulfoxide, 5-methyl-l-cysteine-sulphoxide (methiin), s-me-l-cysteine sulfoxide, s-methyl cysteine sulfoxide, methiin, (+)-s-methyl-l-cysteine-sulfoxide

External chemical identifiers:
CID:CID_182092, ChEMBL:CHEMBL464167, ChEBI:CHEBI:157782, SureChEMBL:SCHEMBL209225, MolPort-003-987-755

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Chemical structure information

SMILES:
CS(=O)C[C@@H](C(=O)O)N

InChI:
InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1

InChIKey:
ZZLHPCSGGOGHFW-BUKSALPDSA-N

DeepSMILES:
CS=O)C[C@@H]C=O)O))N

Functional groups:
CS(C)=O, CC(=O)O, CN

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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, Dipeptides

NP-Likeness score: 1.402

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Chemical structure download