DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:16 UTC
Update Date	2025-03-25 00:59:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236207
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₄O₃S
Molecular Mass	300.1256
SMILES	CSCCC(NC(=O)CC(N)Cc1c[nH]cn1)C(=O)O
InChI Key	XVPNTVWHUMZKCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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