DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:18 UTC
Update Date	2025-03-25 01:01:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250085
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₃N₄O₆+
Molecular Mass	389.2395
SMILES	C[N+](C)(C)CCCCCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
InChI Key	ZXSZEOBSQBSIGC-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound amine organooxygen compound

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