DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:00 UTC
Update Date	2025-03-21 18:05:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055042
Frequency	58.3
Structure
Chemical Formula	C₂₂H₃₄N₃O₁₈P₂+
Molecular Mass	690.1307
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	ZXTHOKAKJFGXNB-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	acetamides azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines nicotinamides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group ether carboxylic acid aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine muramic_acid saccharide organic oxide organonitrogen compound organopnictogen compound organic cation oxane primary alcohol organoheterocyclic compound acetamide pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives 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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