Xylitol
PubChem CID: 827
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| Compound Synonyms | Pentitol, DL-Xylitol, arabitol(d), pentane-1,2,3,4,5-pentol, Arabinitol, D-, Arabitol, D-, NSC16868, NSC25288, D(+)-Arabitol, 1,2,3,4,5-Pentahydroxypentane, 16277-71-7, Adonitol, Adonite, DTXSID7042514, a pentitol, Arabinitol-, Pentitol #, NCGC00095537-01, Klinit (TN), Spectrum_000362, Spectrum_001379, D-Arabitol (Standard), SpecPlus_000401, SpecPlus_000707, Xylitol (JP18/NF), Spectrum2_001746, Spectrum2_001794, Spectrum3_001353, Spectrum3_001865, Spectrum4_001688, Spectrum5_000336, ARABITOL, (D), 1,3,4,5-Pentanepentol, NCIOpen2_001051, SCHEMBL22831, BSPBio_003165, BSPBio_003310, KBioGR_001956, KBioSS_000842, KBioSS_001859, SPECTRUM211539, SPECTRUM310002, DivK1c_006497, DivK1c_006803, SPBio_001747, SPBio_001852, WLN: Q1YQYQYQ1Q -RIB, CHEMBL1369426, SCHEMBL12754877, BDBM16416, HY-N3686A, HY-N3686R, KBio1_001441, KBio1_001747, KBio2_000842, KBio2_001859, KBio2_003410, KBio2_004427, KBio2_005978, KBio2_006995, KBio3_002385, KBio3_002812, HMS3656D03, 6917-36-8, HY-N3686, NSC25283, NSC83253, CCG-38442, CCG-38799, STL301910, AKOS006230298, SB44769, SB44848, SDCCGMLS-0066553.P001, SDCCGMLS-0066553.P002, NCGC00095537-02, NCGC00095537-03, NCGC00095537-04, NCGC00095537-06, SY069463, DB-056064, DB-057037, CS-0024061, CS-0214568, NS00004451, D00061, D85122, 5EEA3448-9684-4158-A021-5E82DBD7CAC3, Ribitol, Adonitol, Adonit, Adonite, NSC 16868, ribo-Pentitol |
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| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 10.0 |
| Description | D-Arabitol is a polyol. Polyols are sugar alcohols linked to the pentose phosphate pathway (PPP). They are classified on the basis of the number of carbon atoms. Polyols occur in body fluids. A patient with leukoencephalopathy and peripheral neuropathy has been identified as suffering from ribose-5-phosphate isomerase (RPI) deficiency, a defect in the PPP. In this disorder, highly elevated concentrations of the C5 polyols such as D-arabitol are found in body fluids. In addition, transaldolase deficiency, another defect in the PPP, has been diagnosed in a patient with mainly liver problems among others had increased concentrations of polyols, mainly D-arabitol. So far, the pathophysiological role of polyols is relatively unknown. It is thought that D-arabitol is a metabolic end-product in humans. The strong brain-CSF-plasma gradient of polyols in the patient with RPI deficiency suggested a primary metabolic disorder. The mechanisms of brain and neuronal damage in RPI deficiency remain to be elucidated. A neurotoxic effect due to accumulation of the polyols may play a role. D-Arabitol is a product of the enzyme D-arabinitol 4-dehydrogenase (EC 1.1.1.11) in the Pentose and glucuronate interconversion pathway. (PMID: 16435225, J Inherit Metab Dis. 2005, 28(6):1181-3). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentane-1,2,3,4,5-pentol |
| Prediction Hob | 1.0 |
| Xlogp | -2.5 |
| Molecular Formula | C5H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEBKCHPVOIAQTA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.047 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -2.27 |
| Synonyms | Arabinitol, Arabinitol, d-, Arabitol, Arabitol, (d), Arabitol, d-, D-(+)-arabinitol, D-(+)-arabitol, D-arabinitol, D-arabinol, D-lyxitol |
| Compound Name | Xylitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0430948 |
| Inchi | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 |
| Smiles | C(C(C(C(CO)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients