DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:49:24 UTC
Update Date	2025-03-25 01:35:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02454219
Frequency	0.5
Structure
Chemical Formula	C₃₈H₄₇N₁₁O₁₉P₂
Molecular Mass	1023.2525
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(OCC3OC(N4C=CCC(C(N)=O)=C4)C(O)C3O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C
InChI Key	YPAWNZYOAUHKHM-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	amino acids and derivatives azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives dialkyl phosphates diazanaphthalenes dihydropyridines enamines flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine pteridine isoalloxazine saccharide purine ribonucleoside diphosphate diazanaphthalene organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate pyrimidone carboxylic acid derivative flavin pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole quinoxaline carbonic acid derivative flavin nucleotide tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester pyrazine secondary alcohol purine benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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