DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:26 UTC
Update Date	2025-03-25 00:50:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184005
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₀N₆O₉
Molecular Mass	510.2074
SMILES	NC(CCC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	CNGMRZBKYZWUCV-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 azacyclic compounds carbonyl compounds carboxylic acids glutamic acid 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 pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole 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 heteroaromatic compound glutamic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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