DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:50 UTC
Update Date	2025-03-25 00:58:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228426
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₂O₁₀
Molecular Mass	380.1431
SMILES	CC(=O)NC1C(O)OC(CO)C(OCOC(=O)CCC(N)C(=O)O)C1O
InChI Key	XCELRDREAOKYRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alpha amino acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glutamic acid and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols saccharolipids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol glutamic acid or derivatives carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid

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