DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:39 UTC
Update Date	2025-03-25 00:47:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161619
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₂O₅S₂
Molecular Mass	296.0501
SMILES	NCCCC(=O)NC(CSSCC(=O)O)C(=O)O
InChI Key	CRLMDPKXPDOBIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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