DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:21 UTC
Update Date	2025-03-21 18:38:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118495
Frequency	22.1
Structure
Chemical Formula	C₁₈H₂₉N₅O₁₁S₂
Molecular Mass	555.1305
SMILES	NC(CCC(=O)NC(CSSCC(C(=O)O)C(=O)NCC(=O)O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	XTWRRXMRJSVNJW-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	1,3-dicarbonyl compounds alpha amino acids carboxylic acids dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tetracarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound tetracarboxylic acid or derivatives carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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