DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:06 UTC
Update Date	2025-03-25 00:46:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02158220
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₅O₈P
Molecular Mass	403.0893
SMILES	O=C(O)CNc1ncnc2c1ncn2C1CC(COP(=O)(O)O)C(O)C1O
InChI Key	PECHLZBJNKSRSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1,3-substituted cyclopentyl purine nucleosides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic alcohols and derivatives cyclopentanols cyclopentyl nucleosides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole cyclopentyl nucleoside alcohol azacycle purine nucleoside heteroaromatic compound cyclic alcohol secondary amine secondary aliphatic/aromatic amine cyclopentanol 1,3-substituted cyclopentyl purine nucleoside monocarboxylic acid or derivatives 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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