DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:10 UTC
Update Date	2025-03-25 00:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178900
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₄N₄O₆S
Molecular Mass	446.2199
SMILES	CSCCC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)O
InChI Key	UHVSBIUWINUIFI-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 branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds tertiary carboxylic acid amides thia fatty acids valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid 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 hydroxy fatty acid 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 valine or derivatives carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid 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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