DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:21 UTC
Update Date	2025-03-25 01:00:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240898
Frequency	0.5
Structure
Chemical Formula	C₂₇H₅₀N₁₂O₇
Molecular Mass	654.3925
SMILES	CC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	CDPWGMLKZSOULN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds branched fatty acids carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives 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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