DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:34 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152455
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₆
Molecular Mass	276.1321
SMILES	NC(CCCNC(CCC(=O)O)C(=O)O)CC(=O)O
InChI Key	HTCOKRGSRPLIKJ-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives glutamic acid or derivatives secondary amine beta amino acid or derivatives organic oxide organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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