DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:07 UTC
Update Date	2025-03-25 01:01:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247405
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₈N₄O₉S₃
Molecular Mass	528.1018
SMILES	CSCCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)NCC(=O)O
InChI Key	HBXJFVOLQPKBFM-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 carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dialkylthioethers dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives organosulfur compound alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound alpha-amino acid amide dialkylthioether carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound thioether organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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