Summary

IMPPAT Phytochemical identifier: IMPHY003203

Phytochemical name: S-Methylthiocysteine

Synonymous chemical names:
s-methylthio-l-cysteine

External chemical identifiers:
CID:3080775, SureChEMBL:SCHEMBL6575667

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Chemical structure information

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

InChI:
InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey:
PYFNLWPQPNXHCS-VKHMYHEASA-N

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

Functional groups:
CC(=O)O, CN, CSSC

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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: 1.656

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Chemical structure download