DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:55 UTC
Update Date	2025-03-21 18:02:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035944
Frequency	105.5
Structure
Chemical Formula	C₉H₁₆N₂O₃
Molecular Mass	200.1161
SMILES	CC(C)CC1NCC(C(=O)O)N=C1O
InChI Key	KAVSHIGYWSGRTA-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	cyclic peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic carboximidic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle organic 1,3-dipolar compound secondary amine monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide hydrocarbon derivative organic nitrogen compound cyclic carboximidic acid organooxygen compound amine

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