DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:45 UTC
Update Date	2025-03-25 00:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175598
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₆S₃
Molecular Mass	401.0749
SMILES	CSCCC(N)C(=O)NC(CSSCC(N)C(=O)O)C(O)C(=O)O
InChI Key	FISHBWMELPHQOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids methionine and derivatives monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alcohol sulfenyl compound alpha-amino acid amide dialkylthioether hydroxy acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide dialkyldisulfide thia fatty acid organic oxygen compound thioether organic disulfide cysteine or derivatives methionine or derivatives hybrid glycopeptide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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