DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:41 UTC
Update Date	2025-03-21 18:28:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070980
Frequency	57.8
Structure
Chemical Formula	C₁₆H₂₈N₆O₆
Molecular Mass	400.207
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	HHSZIOAAUBSZLJ-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	oligopeptides
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 glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives 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 secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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