DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:26 UTC
Update Date	2025-03-21 18:29:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080043
Frequency	36.4
Structure
Chemical Formula	C₁₅H₂₀N₇O₉P
Molecular Mass	473.106
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C2OP(=O)(O)OC21
InChI Key	RDZWOYYRWQFUQX-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 acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dioxaphospholanes fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives 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 alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol carbonic acid derivative alpha-amino acid amide azacycle tetrahydrofuran n-carbamoyl-alpha-amino acid heteroaromatic compound 1,3_dioxaphospholane carboxamide group n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound 2',3'-cyclic purine ribonucleotide

Showing information for DMID00080043