DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:21:44 UTC
Update Date	2025-03-24 21:35:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01829094
Frequency	0.7
Structure
Chemical Formula	C₃₈H₄₆N₁₁O₁₉P₂+
Molecular Mass	1022.2441
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)c2cc1C
InChI Key	DAFDBNVRJZJEJW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	flavin nucleotides
Subclass	flavin nucleotides
Direct Parent	flavin nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds benzenoids carboxylic acids and derivatives dialkyl phosphates diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams lactams methylpyridines monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidones quinoxalines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine pteridine isoalloxazine saccharide purine ribonucleoside diphosphate diazanaphthalene organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide pentose phosphate pyrimidone carboxylic acid derivative flavin pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole quinoxaline carbonic acid derivative flavin nucleotide tetrahydrofuran hydroxypyridine methylpyridine carboxamide group oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester pyrazine secondary alcohol purine benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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