DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:31 UTC
Update Date	2025-03-25 01:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248286
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₉P+
Molecular Mass	406.101
SMILES	NC(=O)CCNC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1
InChI Key	CKVZSPTWNZQGDM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monosaccharides nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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