DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:04 UTC
Update Date	2025-03-21 18:36:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112923
Frequency	23.5
Structure
Chemical Formula	C₁₁H₁₇NO₈
Molecular Mass	291.0954
SMILES	O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1CCCN1
InChI Key	XFXZRTJYJNZDSG-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dialkylamines dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes proline and derivatives pyran carboxylic acids pyrrolidine carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives amino acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane pyrrolidine organoheterocyclic compound proline or derivatives alcohol secondary aliphatic amine pyran carboxylic acid or derivatives azacycle hydroxy acid secondary amine oxacycle pyrrolidine carboxylic acid or derivatives organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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