DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:13:57 UTC
Update Date	2025-03-25 01:45:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02511631
Frequency	0.5
Structure
Chemical Formula	C₃₇H₄₄N₁₄O₁₈P₂
Molecular Mass	1034.2433
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C
InChI Key	ZIOFZFQJOSBHHC-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 amines purine ribonucleoside 3',5'-bisphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyrimidones quinoxalines ribonucleoside 3'-phosphates 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 purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol quinoxaline carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran 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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