DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:47:34 UTC
Update Date	2025-03-24 17:58:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01028304
Frequency	1.4
Structure
Chemical Formula	C₂₇H₃₆N₈O₂₂P₃+
Molecular Mass	917.1152
SMILES	NC(=O)c1cc(C(=O)NC(CCC(=O)O)C(=O)O)c[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	BITSGIFSVPSRPH-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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine primary carboxylic acid amide carbonyl group pentose phosphate amino acid polyhalopyridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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