DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:44 UTC
Update Date	2025-03-25 00:48:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170971
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₄O₇S₂
Molecular Mass	486.1243
SMILES	CC(=O)NC(CSSCC(NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O)C(=O)O
InChI Key	FUDXNEVJKGLOMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides acyl glycines alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acylglycine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide dialkyldisulfide phenylalanine or derivatives organic oxygen compound organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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