DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:33:35 UTC
Update Date	2025-03-24 22:07:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01999081
Frequency	0.6
Structure
Chemical Formula	C₃₈H₆₂N₁₄O₁₀
Molecular Mass	874.4773
SMILES	CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(C)C)C(=O)O
InChI Key	PERSGGRXLUGFFH-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 carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid 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 valine or derivatives heteroaromatic compound organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide 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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