DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:27 UTC
Update Date	2025-03-25 00:59:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234339
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃ClN₄O₁₀P₂
Molecular Mass	445.9795
SMILES	O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(Cl)C1O
InChI Key	REYXHFWJYUTCPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl chlorides azacyclic compounds chlorohydrins heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates organochlorides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam chlorohydrin pentose phosphate alkyl chloride organochloride pyrimidone imidazopyrimidine organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound alkyl halide organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran halohydrin heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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