DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:43 UTC
Update Date	2025-03-21 18:01:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033036
Frequency	110.2
Structure
Chemical Formula	C₂₇H₃₃N₉O₁₆P₂
Molecular Mass	801.152
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)c2cc1C
InChI Key	NYGZCCXZIYVABX-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 hypoxanthines imidazoles 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 ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine saccharide organic oxide purine ribonucleoside diphosphate diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline vinylogous amide carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hypoxanthine hydrocarbon derivative purine benzenoid primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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