DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:13 UTC
Update Date	2025-03-25 00:58:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233790
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₇N₃O₇S₂
Molecular Mass	425.129
SMILES	CSCCCCNC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O
InChI Key	JIMNLSYIXAWWKC-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkylthioethers glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thiohemiaminal derivatives tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine sulfenyl compound n-acyl-alpha-amino acid dialkylthioether secondary amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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