DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:49 UTC
Update Date	2025-03-21 18:03:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042895
Frequency	79.5
Structure
Chemical Formula	C₂₇H₃₃N₉O₁₄P₂
Molecular Mass	769.1622
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)c2cc1C
InChI Key	LBJBMGVVBWQEFF-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 diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2'-deoxyribonucleoside diphosphates purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate monosaccharide pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID00042895