DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:38 UTC
Update Date	2025-03-25 00:46:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154983
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₃N₉O₁₅P₂
Molecular Mass	785.1571
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(COP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)O)c2cc1C
InChI Key	ICYWBNWFKQSWJS-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 monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates 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 imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate 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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