DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:09 UTC
Update Date	2025-03-25 00:46:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156150
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₄S
Molecular Mass	331.1566
SMILES	CSCCC(NC(=O)C1CCCN1C(=O)CN(C)C)C(=O)O
InChI Key	ABOOWYHRFNZIAI-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives methionine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides thia fatty acids trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether tertiary aliphatic amine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

Showing information for DMID02156150