DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:40 UTC
Update Date	2025-03-21 17:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00007700
Frequency	649.1
Structure
Chemical Formula	C₉H₁₅NO₆
Molecular Mass	233.0899
SMILES	O=C(O)CCCNC(CCC(=O)O)C(=O)O
InChI Key	GBNFQLRKAJUJDF-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 carbonyl compounds carboxylic acids dialkylamines gamma amino acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid gamma amino acid or derivatives tricarboxylic acid or derivatives glutamic acid or derivatives secondary amine organic oxide organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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