DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:47:36 UTC
Update Date	2025-03-24 20:54:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01603697
Frequency	0.8
Structure
Chemical Formula	C₂₇H₃₅N₉O₂₁P₄
Molecular Mass	945.0898
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3OP(=O)(O)O)c2cc1C
InChI Key	RMXXLXXLOJVQMW-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 pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purines and purine derivatives pyrazines pyrimidones quinoxalines ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine organic oxide purine ribonucleoside diphosphate diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol quinoxaline carbonic acid derivative azacycle flavin nucleotide tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative purine benzenoid primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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