DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:18 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188309
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₃N₇O₅
Molecular Mass	451.2543
SMILES	CC(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCCCN)C(=O)O
InChI Key	QEZGKJHOZYEHDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives 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
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 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 carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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