DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:19 UTC
Update Date	2025-03-25 01:02:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254595
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₇N₉O₈
Molecular Mass	603.2765
SMILES	CC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)O
InChI Key	CXLOMWQOQREBKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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