DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:47 UTC
Update Date	2025-03-21 17:58:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00014933
Frequency	293.4
Structure
Chemical Formula	C₁₃H₂₂N₂O₇
Molecular Mass	318.1427
SMILES	O=C(O)C(O)CCNC(CCN1CCCC1C(=O)O)C(=O)O
InChI Key	OQMAZRGKYAMKSN-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 amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monosaccharides 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 gamma amino acid or derivatives alpha-hydroxy acid monosaccharide tricarboxylic acid or derivatives 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 secondary aliphatic amine azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid secondary amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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