DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:29 UTC
Update Date	2025-03-21 18:02:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039663
Frequency	87.6
Structure
Chemical Formula	C₁₄H₁₉N₃O₉
Molecular Mass	373.1121
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)ccn1C1OC(CO)C(O)C1O
InChI Key	ZPMKFQYSKAQSGD-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	aspartic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives amino acid monosaccharide substituted pyrrole saccharide organic oxide organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyrrole aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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