DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:52 UTC
Update Date	2025-03-25 00:59:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239796
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₄O₆S₂
Molecular Mass	406.0981
SMILES	NC1CSSCC(C(=O)N2CCCC2C(=O)NC(CO)C(=O)O)NC1=O
InChI Key	XSAQLEWYUZDIMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	carbonyl group lactam carboxylic acid n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide beta-hydroxy acid organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

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