DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:49 UTC
Update Date	2025-03-21 18:41:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133683
Frequency	18.8
Structure
Chemical Formula	C₁₁H₂₁N₃O₅
Molecular Mass	275.1481
SMILES	CNCCCCC(NC(=O)C(N)CC(=O)O)C(=O)O
InChI Key	NVHRCIAOGFAQKP-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amino fatty acids aspartic acid and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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