DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:57 UTC
Update Date	2025-03-21 18:00:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026564
Frequency	143.8
Structure
Chemical Formula	C₁₁H₁₈N₄O₇S
Molecular Mass	350.0896
SMILES	NC(CCCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O
InChI Key	QKZMTQKKBJLRNT-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 carbonyl compounds carboxylic acids cysteine and derivatives delta amino acids and derivatives dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organosulfur compound alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid organic s-nitroso compound organic nitroso compound sulfenyl compound alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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