DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:11 UTC
Update Date	2025-03-25 00:57:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227012
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₃O₅
Molecular Mass	391.2107
SMILES	CC(C)CC(N=C(C(N)Cc1ccc(O)cc1)N1CCCC1C(=O)O)C(=O)O
InChI Key	LLWATRLRHIZWEF-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	leucine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amidines amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid amidine propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives proline or derivatives azacycle organic 1,3-dipolar compound carboximidamide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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