DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:50 UTC
Update Date	2025-03-25 00:51:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184934
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₄N₈O₆
Molecular Mass	482.2601
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCC1C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	DVQFVGYSFZIDDF-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 azacyclic compounds azetidines carbonyl compounds carboximidamides carboxylic acids fatty amides glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group azetidine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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