DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:54 UTC
Update Date	2025-03-25 00:49:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175980
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₃O₅
Molecular Mass	301.1638
SMILES	CCC(C)C(NC(=O)C(N)CC1=CNC(O)C1O)C(=O)O
InChI Key	WEWFMVGDFMSLSQ-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alkanolamines alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds pyrrolines secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives organoheterocyclic compound alkanolamine n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrroline secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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