Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011627

Phytochemical name: Methionine sulfoxide

Synonymous chemical names:
methionine sulphoxide

External chemical identifiers:
CID:CID_847, ChEBI:CHEBI:49033, FDASRS:O74B4F6OYL, SureChEMBL:SCHEMBL995666, MolPort-000-156-735

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Chemical structure information

SMILES:
CS(=O)CCC(C(=O)O)N

InChI:
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

InChIKey:
QEFRNWWLZKMPFJ-UHFFFAOYSA-N

DeepSMILES:
CS=O)CCCC=O)O))N

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

Link to spectral information:
MSBNK-Washington_State_Univ-BML81133, MSBNK-Washington_State_Univ-BML81132, MSBNK-Washington_State_Univ-BML81131, MSBNK-Washington_State_Univ-BML81130

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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: 1.423

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Chemical structure download