DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:50 UTC
Update Date	2025-03-25 00:48:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168924
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₈N₂O₄
Molecular Mass	336.2049
SMILES	CC(C)CC(CC(C)C(=O)O)N=C(O)C(N)Cc1ccc(O)cc1
InChI Key	NDNNFGYQXUVQGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboximidic acids carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl carbocyclic fatty acid carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives methyl-branched fatty acid organic 1,3-dipolar compound amino fatty acid branched fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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