DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:35 UTC
Update Date	2025-03-21 18:36:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109342
Frequency	24.5
Structure
Chemical Formula	C₂₂H₂₇N₃O₆
Molecular Mass	429.19
SMILES	CN(CCCC(O)c1cccnc1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	BYYVRGZVEIALGA-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines aromatic alcohols azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroxypyridines methylpyridines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	aromatic alcohol monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound hydroxypyridine benzoic acid or derivatives methylpyridine glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide pyridine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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