DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:59 UTC
Update Date	2025-03-21 18:02:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036115
Frequency	98.2
Structure
Chemical Formula	C₁₁H₁₅NO₉P+
Molecular Mass	336.0479
SMILES	O=C(O)c1ccc[n+](C2OC(CO)C(OP(=O)(O)O)C2O)c1
InChI Key	UWGDDSNGECGINX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid aromatic heteromonocyclic compound pentose phosphate pyridine-3-carboxylic acid monosaccharide carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation primary alcohol organoheterocyclic compound ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle monocarboxylic acid or derivatives pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate pyridine carboxylic acid secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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