DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:55 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153269
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₁₀
Molecular Mass	350.0961
SMILES	NC(=O)CCC(NC(=O)C1OC(O)(C(=O)O)CC(O)C1O)C(=O)O
InChI Key	ADIMMJOTYQVVHK-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	glutamine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary carboxylic acid amides pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid alpha-hydroxy acid fatty amide monosaccharide fatty acid pyran carboxylic acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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