DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:48 UTC
Update Date	2025-03-21 18:07:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00068873
Frequency	43.9
Structure
Chemical Formula	C₁₇H₂₅N₃O₇
Molecular Mass	383.1692
SMILES	NC(CCC(=O)NC(CCCCn1c(C=O)ccc1CO)C(=O)O)C(=O)O
InChI Key	FERFROGWFVLYQV-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	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids aromatic alcohols aryl-aldehydes azacyclic compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides substituted pyrroles
Substituents	aromatic alcohol fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives substituted pyrrole medium-chain hydroxy acid organic oxide aryl-aldehyde organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid heteroaromatic compound aldehyde carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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