DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:11 UTC
Update Date	2025-03-25 00:50:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178926
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₈N₄O₆S
Molecular Mass	404.173
SMILES	CSCCC(NC(=O)C(N)C(C)O)C(=O)N1CCCC1C(=O)NCC(=O)O
InChI Key	SMKJDUPNHRBFOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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