DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:47 UTC
Update Date	2025-03-25 00:46:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152985
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₁₀
Molecular Mass	401.107
SMILES	NC(=O)c1ccc(C(=O)NC(CC(=O)O)C(=O)O)n1C1OC(CO)C(O)C1O
InChI Key	LUCVVBSFVMQAJU-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	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans
Substituents	primary carboxylic acid amide carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide substituted pyrrole 2-heteroaryl carboxamide saccharide organic oxide pyrrole-2-carboxylic acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound pyrrole-2-carboxamide primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol 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 organic nitrogen compound organooxygen compound

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