DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:32 UTC
Update Date	2025-03-25 00:51:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186581
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉N₃O₄S₂
Molecular Mass	309.0817
SMILES	NCC(=O)CCSSCCC(N)C(=O)NCC(=O)O
InChI Key	YPGUJBLSKNDQAW-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carboxylic acids dialkyldisulfides dipeptides hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives 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 fatty amide organosulfur compound alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide monocarboxylic acid or derivatives organic oxygen compound organic disulfide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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