DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:39 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173069
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₂O₅S
Molecular Mass	320.1406
SMILES	CCC(C)C(NC(CCSC)C(=O)NCC(=O)O)C(=O)O
InChI Key	GMMYSXRIHJJGSQ-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 amino acids carbonyl compounds carboxylic acids dialkylamines dialkylthioethers dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives isoleucine and derivatives methionine and derivatives methyl-branched fatty acids n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide fatty acid organosulfur compound alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives secondary aliphatic amine methyl-branched fatty acid sulfenyl compound alpha-amino acid amide dialkylthioether secondary amine carboxamide group branched fatty acid n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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