DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:09 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171923
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₂N₆O₇
Molecular Mass	432.2332
SMILES	CN=C(NCCCC(N)C(=O)O)NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	UDVRBBFLHIEIPH-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 acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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