DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:54 UTC
Update Date	2025-03-25 00:58:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233054
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₀N₄O₅S
Molecular Mass	390.1937
SMILES	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(N)=O
InChI Key	APMZIKDITGHOPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers glutamic acid and derivatives hydrocarbon derivatives isoleucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether glutamic acid or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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