DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:21 UTC
Update Date	2025-03-21 18:35:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106310
Frequency	25.4
Structure
Chemical Formula	C₁₅H₂₃N₅O₁₀S
Molecular Mass	465.1166
SMILES	NC(CCC(=O)NC(CCC(=O)C(=O)O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O
InChI Key	AHRGCCYRKBBQLZ-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 alpha-hydroxy ketones alpha-keto acids and derivatives amino acids carboxylic acids cysteine and derivatives dialkylamines dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines nitrosothiols organic oxides 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 amino acid fatty amide tricarboxylic acid or derivatives organosulfur compound alpha-hydroxy ketone alpha peptide nitrosothiol ketone organic oxide organonitrogen compound alpha-keto acid alpha-amino acid organopnictogen compound organic s-nitroso compound secondary aliphatic amine organic nitroso compound sulfenyl compound alpha-amino acid amide secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound keto acid cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine nitrosothiol-group

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