DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:29 UTC
Update Date	2025-03-25 00:51:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186450
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₄O₇S
Molecular Mass	380.1366
SMILES	NC(NCCCCC(N)C(=O)O)SCC(C(=O)O)C(=O)NCC(=O)O
InChI Key	WCNYIPAWCTUPBD-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	1,3-dicarbonyl compounds alpha amino acids amino acids carboxylic acids dialkylamines dialkylthioethers hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound dialkylthioether secondary amine carboxamide group n-acylglycine secondary carboxylic acid amide organic oxygen compound thioether hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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