DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:39 UTC
Update Date	2025-03-25 00:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173075
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₃O₆
Molecular Mass	329.1587
SMILES	CCC(C)C(NC(=O)C(NC(=O)C1CCCN1)C(=O)O)C(=O)O
InChI Key	VRNDINYLURBCFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amino acids azacyclic compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound amine

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