DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:37 UTC
Update Date	2025-03-21 18:33:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097129
Frequency	28.4
Structure
Chemical Formula	C₁₁H₁₈N₂O₅
Molecular Mass	258.1216
SMILES	NC(CCCCNC(=C=O)CCC(=O)O)C(=O)O
InChI Key	OOQXVEHHPATPTH-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	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds ynolates
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid secondary aliphatic amine secondary amine amino fatty acid organic oxygen compound ynolate dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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