DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:02 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240170
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₄N₂O₉P+
Molecular Mass	407.1214
SMILES	NC(CCCc1cccc[n+]1C1OC(COP(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	CNRTYXIYNNMUBL-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 2-halopyridines alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine organic cation organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle monocarboxylic acid or derivatives pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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