DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:33 UTC
Update Date	2025-03-25 00:56:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216465
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₄O₅
Molecular Mass	342.1903
SMILES	CCC(C)C(NC(=O)C1CCCN1)C(=O)NC(CC(N)=O)C(=O)O
InChI Key	BBFRBZYKHIKFBX-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 amino acids asparagine and derivatives azacyclic compounds branched fatty acids carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives pyrrolidine isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine 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 organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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