DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:10 UTC
Update Date	2025-03-25 00:53:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199345
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₄O₆S
Molecular Mass	372.1104
SMILES	NC(=O)CCC(NC(=O)C1CCCN1C(=O)C1CSC(=O)N1)C(=O)O
InChI Key	VERAWFAMGYLFRR-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 carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides thiazolidines thiolactones
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine thiolactone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound thiazolidine

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