DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:01 UTC
Update Date	2025-03-21 18:01:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033760
Frequency	107.2
Structure
Chemical Formula	C₂₅H₃₆N₄O₄S
Molecular Mass	488.2457
SMILES	CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C1CCCN1)S(=O)(=O)c1ccc(N)cc1
InChI Key	UTJGUWUVXSMRKM-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aminosulfonyl compounds amphetamines and derivatives azacyclic compounds benzenesulfonamides benzenesulfonyl compounds carbonyl compounds carboxylic acids and derivatives dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds organosulfonamides phenylbutylamines primary amines pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound organosulfur compound organosulfonic acid amide organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives benzenesulfonyl group proline or derivatives alcohol secondary aliphatic amine benzenesulfonamide alpha-amino acid amide azacycle aminosulfonyl compound secondary amine carboxamide group secondary carboxylic acid amide sulfonyl pyrrolidine carboxylic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

Showing information for DMID00033760