DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:22:27 UTC
Update Date	2025-03-24 21:36:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01830657
Frequency	0.7
Structure
Chemical Formula	C₂₈H₃₈N₉O₂₃P₅
Molecular Mass	1023.0769
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)c2cc1C
InChI Key	RIOJDAVFWRJFNV-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 n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine 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 carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran heteroaromatic compound 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

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