DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:27 UTC
Update Date	2025-03-25 00:59:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238858
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₅O₆S
Molecular Mass	363.1213
SMILES	NC(=O)CCC(N)C(=O)NC(CC(N)=O)C(=O)NC(CS)C(=O)O
InChI Key	MINZLORERLNSPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids cysteine and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds peptides 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 fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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