DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:54 UTC
Update Date	2025-03-25 00:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180589
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₂O₆+
Molecular Mass	277.1394
SMILES	C[N+](C)(C)CC(O)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	DKCGXJWRNGOZGP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acids cholines dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives hydroxy fatty acids n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organic cation organic salt n-acyl-alpha amino acid or derivatives alcohol tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound choline secondary alcohol dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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