DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:58 UTC
Update Date	2025-03-25 01:00:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242324
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₉N₃O₈S
Molecular Mass	577.2458
SMILES	CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(CC(N)C(=O)O)cc1
InChI Key	YZGRNHCVEUEMKY-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids aminosulfonyl compounds amphetamines and derivatives benzenesulfonamides benzenesulfonyl compounds carbamate esters carbonyl compounds carboxylic acids dialkyl ethers hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds organosulfonamides oxacyclic compounds phenylbutylamines phenylpropanoic acids secondary alcohols tetrahydrofurans
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid organosulfur compound dialkyl ether organosulfonic acid amide organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives benzenesulfonyl group alcohol carbonic acid derivative benzenesulfonamide aminosulfonyl compound tetrahydrofuran carbamic acid ester oxacycle monocarboxylic acid or derivatives sulfonyl phenylalanine or derivatives organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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