DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:23:58 UTC
Update Date	2025-03-25 01:50:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02534580
Frequency	0.5
Structure
Chemical Formula	C₃₄H₅₅N₇O₁₈P₃+
Molecular Mass	942.2811
SMILES	CCCCCCCCCCCC(O)CC(=O)Nc1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)cc1
InChI Key	GBWGXZYRHRCXOF-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-arylamides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine 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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