DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:50:39 UTC
Update Date	2025-03-24 20:29:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01467178
Frequency	0.9
Structure
Chemical Formula	C₂₇H₃₄N₉O₁₉P₃
Molecular Mass	881.1184
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)C3OP(=O)(O)O)c2cc1C
InChI Key	PCNHMEDGYPVBHE-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 3',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyrazines pyrimidones quinoxalines ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam monosaccharide pentose-5-phosphate imidazopyrimidine pteridine isoalloxazine saccharide purine ribonucleoside diphosphate diazanaphthalene organonitrogen compound organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine amine pentose phosphate pyrimidone flavin pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate quinoxaline carbonic acid derivative flavin nucleotide tetrahydrofuran oxacycle 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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