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	DMID02168765
Frequency	0.5
Structure
Chemical Formula	C₂₃H₄₀N₁₀O₆
Molecular Mass	552.3132
SMILES	CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCN=C(N)N)C(=O)O
InChI Key	OWTCTBAEHXVTSK-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 carboximidamides carboxylic acids glutamine and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound guanidine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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