DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:51 UTC
Update Date	2025-03-25 00:47:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164361
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₇N₃O₅
Molecular Mass	259.1168
SMILES	CC(O)C(NC(=O)C1CCC(C(N)=O)N1)C(=O)O
InChI Key	VRKWHHVGZIZXQR-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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