DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:33 UTC
Update Date	2025-03-25 00:57:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225607
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₇N₅O₅S
Molecular Mass	377.1733
SMILES	CC(C)C(NC(CS)C(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)O
InChI Key	WYMGPWHYISKPES-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	alkylthiols alpha amino acid amides alpha amino acids amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids cysteine and derivatives dialkylamines dicarboxylic acids and derivatives guanidines hydrocarbon derivatives imines methyl-branched fatty acids n-acyl-alpha amino acids organic oxides organopnictogen compounds organosulfur compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid guanidine imine fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide secondary amine carboxamide group branched fatty acid n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound alkylthiol organooxygen compound amine

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