DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:18 UTC
Update Date	2025-03-21 18:06:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060515
Frequency	51.7
Structure
Chemical Formula	C₁₅H₂₁N₃O₉
Molecular Mass	387.1278
SMILES	Nc1c(C(=O)NC(CCC(=O)O)C(=O)O)ccn1C1OC(CO)C(O)C1O
InChI Key	RYGIPOTUZXYQDM-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 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 glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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