DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:37 UTC
Update Date	2025-03-21 18:41:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133209
Frequency	18.9
Structure
Chemical Formula	C₁₅H₂₇N₃O₇
Molecular Mass	361.1849
SMILES	CC(C)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)C(C)O
InChI Key	NSFCGOCKGQWUHM-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids beta hydroxy acids and derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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