DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:31 UTC
Update Date	2025-03-25 00:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225535
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₅S
Molecular Mass	307.1202
SMILES	CC(C)C(NC(=O)C(CO)NC(=O)C(N)CS)C(=O)O
InChI Key	NDNZRWUDUMTITL-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 carbonyl compounds carboxylic acids cysteine and derivatives hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds peptides primary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol n-acyl-alpha amino acid or derivatives alcohol polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid 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 serine or derivatives alkylthiol organooxygen compound

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