DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:21 UTC
Update Date	2025-03-25 01:00:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240916
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇NO₈
Molecular Mass	291.0954
SMILES	CC(C)C(NC(=O)C1OC(=O)C(O)C(O)C1O)C(=O)O
InChI Key	XZPQVBQFXUDFCZ-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acid esters carboxylic acids delta valerolactones dicarboxylic acids and derivatives gluconolactones heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids pyrans secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid delta valerolactone monosaccharide fatty acid lactone saccharide organic oxide gluconolactone aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane delta_valerolactone organoheterocyclic compound alcohol pyran carboxylic acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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