DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:50 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226270
Frequency	0.5
Structure
Chemical Formula	C₉H₁₈N₂O₅
Molecular Mass	234.1216
SMILES	CC(NCC(O)C(N)CCC(=O)O)C(=O)O
InChI Key	NAJUFJWEBQZKMT-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 acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds secondary alcohols
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol secondary aliphatic amine secondary amine amino fatty acid organic oxygen compound secondary alcohol dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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