D-Ribulose 1,5-bisphosphate
PubChem CID: 123658
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| Compound Synonyms | D-Ribulose 1,5-bisphosphate, 24218-00-6, ribulose 1,5-bisphosphate, D-Ribulose 1,5-diphosphate, ribulose-1,5 diphosphate, 1,5-di-O-phosphono-D-ribulose, D-Ribulose diphosphate, RIBULOSE-1,5-DIPHOSPHATE, Ribulose-1,5-bisphosphate, BR374X7NAH, D-Ribulose diphosphate [MI], D-Erythro-pentulose, diphosphate, UNII-BR374X7NAH, D-Erythro-2-pentulose, 1,5-bis(dihydrogen phosphate), 2002-28-0, D-Erythro-pentulose, bis(dihydrogen phosphate), D-Erythro-2-pentulose, bis(dihydrogen phosphate), [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate, D-Erythro-pentulose, 1,5-bis(dihydrogen phosphate), D-ribulose-1,5-bisphosphate, ribulose-1,5-bisphosphat, RuDP, Ribulose-1,5-bis-P, Ribulose 1,5-diphosphate, SCHEMBL26828, 14689-84-0 free acid, CHEBI:16710, DTXSID30173837, DTXSID301344111, D-Ribulose 1,5-bisphosphate sodium salt, D-ribulose 1,5-bis(dihydrogen phosphate), DA-63021, 1,5-di-O-phosphono-D-erythro-pent-2-ulose, C01182, D-erythro-pentulose 1,5-bis(dihydrogen phosphate), Q418860, erythro-2-Pentulose, 1,5-bis(dihydrogen phosphate), F43463CC-DA7F-48A6-B612-7A3C1BA197DC, [(2R,3R)-2,3-dihydroxy-4-keto-5-phosphonooxy-pentyl] dihydrogen phosphate, [(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonooxy-pentyl] dihydrogen phosphate |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 191.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | O[C@@H]C=O)COP=O)O)O)))))[C@@H]COP=O)O)O))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Organooxygen compounds |
| Description | D-ribulose-1,5-bisphosphate, also known as ribulose-1,5-diphosphoric acid or ribulose-1,5 diphosphate, (D)-isomer, is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. D-ribulose-1,5-bisphosphate is soluble (in water) and a moderately acidic compound (based on its pKa). D-ribulose-1,5-bisphosphate can be found in a number of food items such as bamboo shoots, bog bilberry, chestnut, and other cereal product, which makes D-ribulose-1,5-bisphosphate a potential biomarker for the consumption of these food products. D-ribulose-1,5-bisphosphate may be a unique E.coli metabolite. Ribulose 1,5-bisphosphate (RuBP) is an organic substance that is involved in photosynthesis. It is a colourless anion, a double phosphate ester of the ketopentose (ketone-containing sugar with five carbon atoms) called ribulose. Salts of RuBP can be isolated, but its crucial biological function happens in solution. To simplify the presentation, the image in the above table depicts the acid form of this anion . |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O11P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAHZABJORDUQGO-NQXXGFSBSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 8.0 |
| Synonyms | ribulose 15-bisphosphate |
| Esol Class | Highly soluble |
| Functional Groups | CC(C)=O, CO, COP(=O)(O)O |
| Compound Name | D-Ribulose 1,5-bisphosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.985 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.985 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 310.09 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 1.8020544000000005 |
| Inchi | InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1 |
| Smiles | C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16660167