DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:29 UTC
Update Date	2025-03-21 18:37:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116376
Frequency	22.6
Structure
Chemical Formula	C₁₄H₁₈N₄O₅S
Molecular Mass	354.0998
SMILES	NC(Cc1ccccc1)C(=O)NC(CSN=O)C(=O)NCC(=O)O
InChI Key	BYPKEJWCDWUQNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids cysteine and derivatives fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives nitrosothiols organic oxides 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 nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic s-nitroso compound n-acyl-alpha amino acid or derivatives polypeptide organic nitroso compound 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 monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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