DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:15 UTC
Update Date	2025-03-25 00:51:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185897
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇NO₆S
Molecular Mass	327.0777
SMILES	O=C(CCC(S)C(=O)O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	YVEONGYMXXIPEM-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkylthiols alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide thia fatty acid phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound alkylthiol organooxygen compound

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