DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:06 UTC
Update Date	2025-03-25 00:45:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149009
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₀N₅O₅+
Molecular Mass	396.2241
SMILES	NC(=O)CCc1c(N)c[n+](CCCCC(N)C(=O)O)cc1CCC(N)C(=O)O
InChI Key	QBNSHHVXOWZXQC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxypyridines medium-chain fatty acids monoalkylamines organic cations organic oxides organopnictogen compounds polyhalopyridines primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid heterocyclic fatty acid polyhalopyridine fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organoheterocyclic compound azacycle heteroaromatic compound hydroxypyridine carboxamide group amino fatty acid pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02149009