DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:15 UTC
Update Date	2025-03-25 00:54:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206362
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈N₂O₇
Molecular Mass	348.1897
SMILES	NC(CCCCNC(CCC(=O)O)C(O)CCCC(=O)O)C(=O)O
InChI Key	ABQSGOTYBRRGBD-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 carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds secondary alcohols tricarboxylic acids and derivatives
Substituents	alcohol aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid gamma amino acid or derivatives tricarboxylic acid or derivatives alpha-amino acid or derivatives secondary amine organic oxide organic oxygen compound organonitrogen compound alpha-amino acid secondary alcohol organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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