DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:25 UTC
Update Date	2025-03-25 00:57:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223150
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₅O₄
Molecular Mass	257.1124
SMILES	NC(CCCCNc1nc(=O)[nH]c(=O)[nH]1)C(=O)O
InChI Key	WTPSCFZJOPEJQL-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids halo-s-triazines heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-aliphatic s-triazines organic carbonic acids and derivatives organic oxides organopnictogen compounds secondary alkylarylamines triazinones
Substituents	fatty acyl n-aliphatic s-triazine carbonyl group amino-1,3,5-triazine carboxylic acid aromatic heteromonocyclic compound amino acid heterocyclic fatty acid fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound carbonic acid derivative azacycle aminotriazine heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound halo-s-triazine triazine hydrocarbon derivative 1,3,5-triazine primary aliphatic amine organic nitrogen compound triazinone organooxygen compound amine

Showing information for DMID02223150