DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:31 UTC
Update Date	2025-03-21 18:32:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00089596
Frequency	31.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₆
Molecular Mass	288.1321
SMILES	O=C(CCN1CCCC1C(=O)O)NCCC(O)C(=O)O
InChI Key	MDVOIOZNJGXZFM-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	alpha amino acids alpha hydroxy acids and derivatives amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid saccharide 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 azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid carboxamide group beta amino acid or derivatives secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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