DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:34 UTC
Update Date	2025-03-25 00:56:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216486
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₁N₅O₄S
Molecular Mass	389.2097
SMILES	CCC(C)C(NC(=O)CCCNC(=N)N)C(=O)NC(CCSC)C(=O)O
InChI Key	JAVVZGQQMCUSEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids branched fatty acids carbonyl compounds carboximidamides carboxylic acids dialkylthioethers gamma amino acids and derivatives guanidines hydrocarbon derivatives imines isoleucine and derivatives methionine and derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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