DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:51 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226305
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₄O₆S
Molecular Mass	336.1104
SMILES	CC(O)C(NC(=O)C(CS)NC(=O)C(N)CC(N)=O)C(=O)O
InChI Key	QRHYAUYXBVVDSB-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives hydrocarbon derivatives hydroxy fatty acids 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 alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide n-acyl-alpha-amino acid hydroxy 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 secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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