DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:56 UTC
Update Date	2025-03-25 00:48:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169131
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₃O₉
Molecular Mass	379.1591
SMILES	CC(=O)NC1C(O)C(O)C(C(=O)O)OC1N(O)C(CCCCN)C(=O)O
InChI Key	CZXKHVSVPDTXAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides alpha amino acids amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-organohydroxylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid n-glucuronide beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound acetamide 1,2-diol alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group amino fatty acid n-organohydroxylamine oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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