Summary

IMPPAT Phytochemical identifier: IMPHY016028

Phytochemical name: (2S)-2-amino-3-methylsulfinylpropanoic acid

Synonymous chemical names:
s-methyl-cysteine sulfoxide

External chemical identifiers:
CID:99483, SureChEMBL:SCHEMBL11268932

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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?/m1/s1

InChIKey:
ZZLHPCSGGOGHFW-ZMQIUWNVSA-N

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

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

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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