DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:46 UTC
Update Date	2025-03-25 00:59:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235065
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₅N₉O₁₄P₂
Molecular Mass	783.1779
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)CP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C
InChI Key	LUBKDTDHASGBID-UHFFFAOYSA-N
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	azacyclic compounds benzenoids bisphosphonates diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organophosphorus compounds organopnictogen compounds oxacyclic compounds phosphonic acid esters primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam purine ribonucleoside monophosphate monosaccharide pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine phosphonic acid ester saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline bisphosphonate carbonic acid derivative azacycle tetrahydrofuran flavin nucleotide heteroaromatic compound oxacycle organic oxygen compound pyrazine secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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