DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:41 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189193
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₁N₃O₂
Molecular Mass	345.2416
SMILES	CC(C)CC(N)C(=O)N1C(CC(C)C)N=C(O)C1Cc1ccccc1
InChI Key	KRUXXOIKSKQATQ-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	cyclic peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic carboximidic acids hydrocarbon derivatives imidazolines leucine and derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound alpha-amino acid amide azacycle organic 1,3-dipolar compound carboxamide group organic oxygen compound cyclic alpha peptide imidazoline 3-imidazoline hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound cyclic carboximidic acid organooxygen compound

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