DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:11 UTC
Update Date	2025-03-25 00:55:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210979
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₃O₃
Molecular Mass	305.1739
SMILES	CC(=O)NC(CCN1CCN(c2ccccc2)CC1)C(=O)O
InChI Key	DSJJGVYLCDQYLY-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids amino fatty acids aniline and substituted anilines azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines fatty acyls hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpiperazines n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid organic oxide piperazine tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine tertiary amine organoheterocyclic compound acetamide azacycle n-acyl-alpha-amino acid aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine amino fatty acid carboxamide group phenylpiperazine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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