DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:47 UTC
Update Date	2025-03-25 00:49:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178054
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₂O₆
Molecular Mass	304.1634
SMILES	COC(=O)CCCC(NCCCCC(N)C(=O)O)C(=O)O
InChI Key	ITIUIFZHRQQANA-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines fatty acid methyl 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 alpha-amino acid or derivatives organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives secondary aliphatic amine secondary amine fatty acid ester fatty acid methyl ester organic oxygen compound carboxylic acid ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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