DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:46 UTC
Update Date	2025-03-25 00:48:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168778
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₆N₄O₉
Molecular Mass	536.2482
SMILES	CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	RIVATNSFRAGXTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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