DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:59 UTC
Update Date	2025-03-25 00:53:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198927
Frequency	0.5
Structure
Chemical Formula	C₉H₁₃N₃O₆
Molecular Mass	259.0804
SMILES	NC(CC(=O)NC1CC(O)=NC1C(=O)O)C(=O)O
InChI Key	DSOVTLMYZRZEBI-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	asparagine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic carboximidic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroline 2-carboxylic acids secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organoheterocyclic compound azacycle pyrroline carboxylic acid or derivatives organic 1,3-dipolar compound carboxamide group n-acyl-amine pyrroline 2-carboxylic acid secondary carboxylic acid amide pyrroline organic oxygen compound pyrroline carboxylic acid dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound cyclic carboximidic acid organooxygen compound

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