DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:12 UTC
Update Date	2025-03-25 00:57:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227066
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₅S
Molecular Mass	292.1093
SMILES	CC(CC(CS)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	HMYGFQAPWYZKLH-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives methyl-branched fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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