DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:44 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223885
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₂N₄O₄S
Molecular Mass	306.1362
SMILES	NC(=O)CCC(N)C(CS)NC(=O)CCC(N)C(=O)O
InChI Key	XGZRCMCWVWQPBR-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 fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide 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 carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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