DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:38 UTC
Update Date	2025-03-25 00:46:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154992
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₄N₉O₁₃P
Molecular Mass	735.2014
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)CO)c2cc1C
InChI Key	MGRJGLQXTWEWGV-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 dialkyl phosphates diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline carbonic acid derivative azacycle tetrahydrofuran flavin nucleotide heteroaromatic compound oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester pyrazine secondary alcohol hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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