DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:41 UTC
Update Date	2025-03-21 18:04:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052079
Frequency	67.9
Structure
Chemical Formula	C₂₁H₂₈N₁₀O₅
Molecular Mass	500.2244
SMILES	N=C(N)NCCCC(NC(=O)c1ccc(NCC2CNc3[nH]c(N)nc(=O)c3N2C=O)cc1)C(=O)O
InChI Key	DYQGWYURWMDYIT-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 azacyclic compounds benzoyl derivatives carbonyl compounds carboximidamides carboxylic acids guanidines heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid guanidine imine benzoyl pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives carboximidamide secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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