Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008390

Phytochemical name: Methylmethionine sulfonium chloride

Synonymous chemical names:
vitamin u (s-methyl methionine)

External chemical identifiers:
CID:CID_16217806, ChEMBL:CHEMBL1797128, ChEBI:CHEBI:6884, FDASRS:G9CUR2204U, SureChEMBL:SCHEMBL232285

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Chemical structure information

SMILES:
N[C@H](C(=O)O)CC[S+](C)C.[Cl-]

InChI:
InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1

InChIKey:
MYGVPKMVGSXPCQ-JEDNCBNOSA-N

DeepSMILES:
N[C@H]C=O)O))CC[S+]C)C.[Cl-]

Functional groups:
CN, CC(=O)O, C[S+](C)C, [Cl-]

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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-Likeness score: 1.718

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Chemical structure download