DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:27 UTC
Update Date	2025-03-25 00:47:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163460
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅NO₇
Molecular Mass	249.0849
SMILES	O=C(O)C(O)CCN1CC(O)C(O)C1C(=O)O
InChI Key	IPLAXCMJBWKIQJ-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 1,3-aminoalcohols alpha amino acids alpha hydroxy acids and derivatives amino acids amino fatty acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid beta-hydroxy 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 1,3-aminoalcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine hydroxy acid amino fatty acid 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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