DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:18 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188300
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₇
Molecular Mass	304.1271
SMILES	CC(NC(CCN1CC(O)CC1C(=O)O)C(=O)O)C(=O)O
InChI Key	CYKVWROIBNCVGC-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols alanine and derivatives alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives hydroxy fatty acids n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols trialkylamines tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol secondary aliphatic amine azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine secondary amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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