Heptulose-2-Phosphate
PubChem CID: 124823
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| Compound Synonyms | Heptulose-2-Phosphate, Heptulose-2-P, 92642-58-5, Heptulose 2-phosphate, 1-Deoxygluco-heptulose 2-phosphate, 1-Deoxy-D-gluco-heptulose 2-phosphate, [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate, alpha-D-gluco-2-Heptulopyranose, 1-deoxy-, 2-(dihydrogen phosphate), 6gpb, (((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl)oxy)phosphonic acid, {[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]oxy}phosphonic acid, SCHEMBL4312544, DTXSID70919034, DB04195, 1-Deoxy-2-O-phosphonohept-2-ulopyranose, H2P, NS00070163, Q27095022, 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 17.0 |
| Description | Heptulose-2-phosphate, also known as 1-deoxygluco-heptulose 2-phosphate, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Heptulose-2-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Heptulose-2-phosphate can be found in garden tomato (variety) and sweet orange, which makes heptulose-2-phosphate a potential biomarker for the consumption of these food products. . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -3.5 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C7H15O9P |
| Inchi Key | QZBAZODTRUGOQS-XUUWZHRGSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-Deoxy-D-gluco-heptulose 2-phosphate, 1-Deoxygluco-heptulose 2-phosphate, 6gpb, D-altro-Heptulose 1,7-biphosphate, D-Sedoheptulose 1,7-bisphosphate, Heptulose 2-phosphate, Heptulose-2-P, HEPTULOSE-2-PHOSPHATE, Heptulose-2-phosphoric acid, 1-deoxygluco-Heptulose 2-phosphate |
| Compound Name | Heptulose-2-Phosphate |
| Kingdom | Organic compounds |
| Exact Mass | 274.045 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 274.045 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 274.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1 |
| Smiles | C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Monosaccharide phosphates |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all