DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:38 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173063
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₀N₄O₆
Molecular Mass	398.2165
SMILES	CCC(C)C(NC(C)=O)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	UZFLOTBILKGXSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acid amides alpha amino acids azacyclic compounds branched fatty acids carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group branched fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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