DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:03 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205923
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₄O₈S
Molecular Mass	366.0845
SMILES	NC(CCC(=O)NC(CSN=O)C(O)C(=O)NCC(=O)O)C(=O)O
InChI Key	ZZFJEFWZLPEOLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines nitrosothiols organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative nitrosothiol saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organic s-nitroso compound n-acyl-alpha amino acid or derivatives alcohol organic nitroso compound sulfenyl compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives n-acylglycine secondary carboxylic acid amide organic oxygen compound hybrid glycopeptide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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