DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:42 UTC
Update Date	2025-03-21 18:31:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085396
Frequency	33.5
Structure
Chemical Formula	C₁₇H₂₄N₄O₇S₂
Molecular Mass	460.1086
SMILES	NC(CSSCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)O)C(=O)O
InChI Key	LBKCPFCPKQHMBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 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 tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives 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 phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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