DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:45 UTC
Update Date	2025-03-21 18:29:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078390
Frequency	37.3
Structure
Chemical Formula	C₂₁H₂₈N₁₀O₄
Molecular Mass	484.2295
SMILES	N=C(N)NCCCC(NC(=O)c1ccc(N2CC3CNc4nc(N)[nH]c(=O)c4N3C2)cc1)C(=O)O
InChI Key	JYGKJHWGKZJZJA-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	arginine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboximidamides carboxylic acids dialkylarylamines guanidines heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazopyrazines imidolactams imines lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety lactam carboxylic acid phenylimidazolidine imidazopyrazine benzoyl organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary aliphatic/aromatic amine secondary carboxylic acid amide hydrocarbon derivative primary amine amine carbonyl group amino acid guanidine imine pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound arginine or derivatives organopnictogen compound dialkylarylamine imidolactam hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives carboximidamide secondary amine carboxamide group monocarboxylic acid or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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