DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:41 UTC
Update Date	2025-03-25 00:51:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184583
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₂O₇
Molecular Mass	322.174
SMILES	NC(CCCNCC1(O)OC(CO)C(O)C1O)CCC(=O)O
InChI Key	WRTXREGVKIDHSK-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid gamma amino acid or derivatives monosaccharide fatty acid medium-chain hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal medium-chain fatty acid hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine tetrahydrofuran secondary amine amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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