DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:08 UTC
Update Date	2025-03-25 00:53:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199254
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₃N₅O₃
Molecular Mass	391.2583
SMILES	CN1CCCC1CNc1ccc(NC(=O)CNCCCCC(N)C(=O)O)cc1
InChI Key	OAPVTCSZWOZOBA-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	alpha amino acid amides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids anilides azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-alkylpyrrolidines n-arylamides organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid heterocyclic fatty acid fatty acid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid pyrrolidine tertiary amine organoheterocyclic compound secondary aliphatic amine alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine secondary amine carboxamide group amino fatty acid secondary aliphatic/aromatic amine anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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