DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:47 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184795
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₈N₆O₆
Molecular Mass	400.207
SMILES	N=C(NCCCC(N)C(=O)O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)O
InChI Key	RQKHTVVHSQPKGV-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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