DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:15 UTC
Update Date	2025-03-25 00:55:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211137
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉N₃O₇
Molecular Mass	399.2006
SMILES	CC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	BWUFAWYWFGFJNA-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 dicarboxylic acids and derivatives glutamic acid and derivatives heterocyclic fatty acids hydrocarbon derivatives leucine and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group branched fatty acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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