DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 01:45:15 UTC
Update Date	2025-03-21 20:02:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00308599
Frequency	6.4
Structure
Chemical Formula	C₇H₁₂NO₂+
Molecular Mass	142.0863
SMILES	C[N+]1(C)CCC=C1C(=O)O
InChI Key	YBOILUZEIXAKHO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amines azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds pyrroline 2-carboxylic acids quaternary ammonium salts
Substituents	carbonyl group carboxylic acid organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt organoheterocyclic compound azacycle quaternary ammonium salt pyrroline carboxylic acid or derivatives pyrroline 2-carboxylic acid monocarboxylic acid or derivatives organic oxygen compound pyrroline pyrroline carboxylic acid hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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