DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:06 UTC
Update Date	2025-03-21 18:38:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120192
Frequency	21.6
Structure
Chemical Formula	C₁₄H₂₈N₄O₅S₂
Molecular Mass	396.1501
SMILES	NC(CCCCNC(=O)C(N)CCSSCCC(N)C(=O)O)C(=O)O
InChI Key	NETMNUIZPHZBPC-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	alpha amino acid amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dialkyldisulfides dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid sulfenyl compound alpha-amino acid amide carboxamide group n-acyl-amine secondary carboxylic acid amide dialkyldisulfide thia fatty acid organic oxygen compound organic disulfide dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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