DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:55 UTC
Update Date	2025-03-25 00:50:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178345
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₆
Molecular Mass	276.1321
SMILES	COC(=O)C(CC(=O)O)NCCCCC(N)C(=O)O
InChI Key	YZNMXCBLNQDNLB-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines fatty acid esters hydrocarbon derivatives methyl esters monoalkylamines organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid ester secondary amine fatty acid ester organic oxygen compound carboxylic acid ester aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02178345