DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:54 UTC
Update Date	2025-03-25 00:51:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189702
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₁N₃O₇
Molecular Mass	425.2162
SMILES	CC(C)NCC(O)COc1ccc(CC(N)C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	YVNRMNKFVRTGJB-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenol ethers phenoxy compounds phenylalanine and derivatives secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound amine

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