Basic information
- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O- InChIKey
SRNWOUGRCWSEMX-UHFFFAOYSA-N- Molecular formula
- C15H23N5O14P2
- Average molar mass
- 559.32 g/mol
Overview
Adenosine diphosphate ribose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Adenosine 5'-diphosphoribose
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen phosphate
Names & synonyms
AdoPPRibADP-Rib(Rib5)ppAA5'pp5Rib[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphateAdenosine 5'-diphosphoriboseD-ribofuranos-5-yl-ADPRibose adenosine diphosphateSCHEMBL21196515[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxNS00015295Q61416
Show more names
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Database identifiers
- CAS
20762-30-5- PubChem CID
- 192
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 876
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section204.5 Ų [M+H2O-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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