DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:41 UTC
Update Date	2025-03-21 18:05:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056673
Frequency	56.2
Structure
Chemical Formula	C₉H₁₆N₄O₅S
Molecular Mass	292.0841
SMILES	NCCCC(=O)NC(CSN=O)C(=O)NCC(=O)O
InChI Key	MYWMQANQIDFNBZ-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 dipeptides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide organosulfur compound alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 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 monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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