DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:25 UTC
Update Date	2025-03-25 00:53:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197569
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₁N₃O₉
Molecular Mass	421.206
SMILES	CCC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)NC1OC(CO)C(O)C(O)C1O
InChI Key	DUHUKDXOERXZGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aminosaccharides branched fatty acids carbonyl compounds carboxylic acids fatty acyl glycosides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol amino saccharide alpha-amino acid amide n-acyl-alpha-amino acid fatty n-acyl glycoside carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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