DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:39 UTC
Update Date	2025-03-21 18:06:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061394
Frequency	50.7
Structure
Chemical Formula	C₁₁H₁₇N₅O₉P₂
Molecular Mass	425.0502
SMILES	CNc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1
InChI Key	NACAMGFBUMUTEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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