DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:55 UTC
Update Date	2025-03-25 00:59:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237664
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₅O₁₃P₃
Molecular Mass	518.9957
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C3COP(=O)(O)OC32)c(=O)[nH]1
InChI Key	TZRRMUMQWGRYFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine deoxyribonucleoside 2',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 3'-deoxyribonucleoside diphosphates purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole vinylogous amide purine deoxyribonucleoside 2',5'-bisphosphate azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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