Basic information
- Standard SMILES
Nc1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2nc[n+]1C1OC(COP(=O)(O)O)C(O)C1O- InChIKey
KYTPWZMUSLPBJZ-UHFFFAOYSA-O- Molecular formula
- C15H26N5O20P4+
- Average molar mass
- 720.28 g/mol
- Monoisotopic mass
- 720.01216123
Overview
Phosphoribosyl-ATP is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- phosphoribosyl-ATP
- IUPAC
- [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-ium-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
6-amino-9-(3,4-dihydroxy-5-(((hydroxy(((hydroxy(phosphonooxy)phosphoryl)oxy))phosphoryl)oxy)methyl)oxolan-2-yl)-1-(3,4-dihydroxy-5-((phosphonooxy)methyl)oxolan-2-yl)-9H-1$l^(5),3,7,9-purin-1-ylium6-amino-9-[3,4-dihydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-9H-1$l^{5},3,7,9-purin-1-yliumRefChem:10953296-amino-9-(3,4-dihydroxy-5-(((hydroxy(((hydroxy(phosphonooxy)phosphoryl)oxy))phosphoryl)oxy)methyl)oxolan-2-yl)-1-(3,4-dihydroxy-5-((phosphonooxy)methyl)oxolan-2-yl)-9H-1lambda5-purin-1-yliumphosphoribosyl-ATPDTXSID8013437326-amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-9H-purin-1-ium
Database identifiers
- PubChem CID
- 1009
- DTXSID
DTXSID801343732
Properties
Computed structural properties
- XLogP
- -8.8
- Topological polar surface area
- 387 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 1
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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