DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:57 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205720
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₅O₆S
Molecular Mass	349.1056
SMILES	NCCCC(=O)NC(CSN=O)C(=O)NCC(=O)NCC(=O)O
InChI Key	RFYZTCRJENQCIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines nitrosothiols organic oxides organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 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-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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