DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:57 UTC
Update Date	2025-03-21 18:34:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100384
Frequency	27.3
Structure
Chemical Formula	C₁₅H₂₁N₅O₁₀
Molecular Mass	431.1288
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	NJVZIWDUCDIBJW-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	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives dipeptides heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid monosaccharide 2-heteroaryl carboxamide alpha peptide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound alcohol vinylogous amide alpha-amino acid amide azacycle heteroaromatic compound n-acylglycine alpha-dipeptide secondary carboxylic acid amide aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound amino acid fatty amide organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group primary alcohol azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

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