DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:10 UTC
Update Date	2025-03-21 18:32:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093630
Frequency	29.8
Structure
Chemical Formula	C₁₄H₁₆N₅O₁₀P
Molecular Mass	445.0635
SMILES	O=C(O)CC(Nc1ncnc2c1ncn2C1OC(CO)C2OP(=O)(O)OC21)C(=O)O
InChI Key	PGGWSJIPPGYZRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	2',3'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alkylarylamines tetrahydrofurans
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 primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound amine 2',3'-cyclic purine ribonucleotide

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