Adonitol
PubChem CID: 6912
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| Compound Synonyms | xylitol, ribitol, adonitol, 488-81-3, 87-99-0, Xylite, D-Xylitol, Adonit, Adonite, D-ribitol, Xyliton, Eutrit, Klinit, Xylite (sugar), Kannit, Xylit, Newtol, 1,2,3,4,5-pentanepentol, L-ribitol, Pentitol, (2R,3s,4S)-pentane-1,2,3,4,5-pentol, Fluorette, Xylisorb, Kylit, meso-ribitol, xylo-Pentitol, D-Adonitol, (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol, Xylitab 300, meso-xylitol, CHEBI:15963, L-xylitol, Xylitol, d-, Xylitol cm 90, Ribitol (Adonitol), RIBO-PENTITOL, CHEBI:17151, (2S,4R)-pentane-1,2,3,4,5-pentol, D-ribitol (incorrect), L-ribitol (incorrect), 2,3-DihydroAcrivastine, (2R,3r,4S)-pentane-1,2,3,4,5-pentol, ADONITOL [MI], xylo-Pentane-1,2,3,4,5-pentol, (2R,3S,4S)-Pentane-1,2,3,4,5-pentaol, 2,3-Dihydro Acrivastine, C-xylidex cr 16055, EINECS 207-685-7, MFCD00064291, MFCD00064292, NSC 16868, 87849-01-2, BRN 1720524, 353ZQ9TVDA, VCQ006KQ1E, (2R,4S)-pentane-1,2,3,4,5-pentol, INS NO.967, Xylooligosaccharide, INS-967, DTXSID601032335, Ribitol (USAN), NSC-16868, NSC-25283, pentane-1,2,3,4,5-pentol, 16277-71-7, 1,2,3,4,5-Pentahydroxypentane, RIBITOL [USAN], E-967, 4-01-00-02832 (Beilstein Handbook Reference), Adonitol, Adonite, EINECS 201-788-0, NSC 25283, UNII-353ZQ9TVDA, UNII-VCQ006KQ1E, DTXSID7042514, BRN 1720523, pentitols, Adonito, rmeso-Pentitol, Xylitol [INN:BAN:JAN:NF], DL-Arabinit, Xylitol C, HSDB 7967, Xylitab DC, Wood sugar alcohol, RB0, Xylitol, Meso-xylitol, C-Xylidex CR 16055, DL-Xylitol, Eutrit, Fluorette, Klinit, Kylit, NSC 25283, Wood sugar alcohol, X 0018, Xylisorb, Xylisorb 300, Xylisorb 700, Xylit, Xylit XC, Xylitab 100, Xylitab 300, Xylitab DC, Xylite, Xylite (sugar), Xylitol C, Xylitol CM 90, Xylitol P, Xyliton, meso-Xylitol, xylo-Pentitol, Xylitol,(S), Xylitol (Standard), Adonitol (7CI), Xylisorb 300, Xylisorb 700, Xylitab 100, Xylitol - BP/EP, Adonitol, >=99%, E967, XYLITOL [VANDF], Xylitol, >=99%, XYLITOL [FCC], XYLITOL [JAN], XYLITOL [II], XYLITOL [MI], XYLITOL [MART.], XYLITOL [USP-RS], XYLITOL [WHO-DD], bmse000062, bmse000129, bmse000886, Epitope ID:114702, Epitope ID:114703, EC 201-788-0, SCHEMBL4250, Xylitol, analytical standard, 1,2,3,4,5Pentanepentol, SCHEMBL15318, MLS002695898, CHEMBL96783, Ribitol (6CI,8CI,9CI), XYLITOL [EP IMPURITY], XYLITOL [EP MONOGRAPH], QSPL 191, SCHEMBL1924966, CHEMBL1865120, CHEMBL3137744, DTXCID5022514, CHEBI:25899, HY-N0538R, BBP-418, DTXSID30859149, HEBKCHPVOIAQTA-SCDXWVJYSA-N, DTXCID801517339, 6917-36-8, HY-N0538, Tox21_201056, s2612, s4546, AKOS015903403, AKOS015915193, CCG-214167, CCG-266218, CS-6043, DB01904, DB11195, DB14704, MR01271, MX01244, MX01771, CAS-87-99-0, NCGC00165982-01, NCGC00165982-02, NCGC00258609-01, NCGC00390798-01, Adonitol, BioXtra, >=99.0% (HPLC), AS-55964, DS-11416, SMR001562099, (2R,4S)-pentane-1,2,3,4,5-pentaol, HY-100582, Xylitol, Vetec(TM) reagent grade, >=99%, A0171, NS00074292, NS00098970, SW220290-1, X0018, Adonitol, BioReagent, suitable for cell culture, C00379, C00474, D12847, EN300-7377714, EN300-7424092, Q212093, Q416534, BRD-K49313711-001-05-4, Xylitol, European Pharmacopoeia (EP) Reference Standard, Z1255486336, 5DCF4F57-E023-469A-B4F3-91E8349A6705, Xylitol, United States Pharmacopeia (USP) Reference Standard, 6684F574-C267-40CB-8828-12F2550E58D0, Xylitol, Pharmaceutical Secondary Standard, Certified Reference Material |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H]C[C@H]CO))O))O))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Ribitol is a metabolic end product formed by the reduction of ribose in human fibroblasts and erythrocytes (pentitol, sugar alcohol, polyol). Export of ribitol across the cell membrane indicates that can be cleared from the body without metabolic conversion. (PMID 15234337) Several inborn errors of metabolism with abnormal polyol concentrations in body fluids are known to date. Most of these defects can be diagnosed by the assessment of urinary concentrations of polyols. (PMID 16435188) Ribitol is normally absent in Breast milk. (PMID 16456418) [HMDB] |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Enzyme Uniprot Id | Q7Z4W1 |
| Uniprot Id | P15121, Q7Z4W1, O60218, Q00796, Q9UBT6, n.a. |
| Iupac Name | (2S,4R)-pentane-1,2,3,4,5-pentol |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.5 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEBKCHPVOIAQTA-NGQZWQHPSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.002 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -2.38 |
| Synonyms | 1,2,3,4,5-pentanepentol, Adonit, Adonite, Adonitol, D-Adonitol, D-Ribitol, L-Ribitol, pentitol, Ribitol, E967, Eutrit, Fluorette, Kannit, Klinit, Kylit, Meso-xylitol, Newtol, Trident gum, Wood sugar alcohol, XYL, Xylisorb, Xylisorb 300, Xylisorb 700, Xylit, Xylitab 100, Xylitab 300, Xylitab DC, Xylite, Xylite (sugar), Xylitol C, Xyliton, Xylo-pentitol, (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol, Xylitol, D-XYLITOL, ribitol(adonitol), xylitol |
| Substituent Name | Sugar alcohol, Secondary alcohol, Polyol, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | Adonitol |
| Kingdom | Organic compounds |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 1.0430948 |
| Inchi | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? |
| Smiles | C([C@H](C([C@H](CO)O)O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sugar alcohols |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Turbinata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Alnus Alnobetula (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776 - 5. Outgoing r'ship
FOUND_INto/from Anthriscus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Argyreia Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Artocarpus Styracifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Bupleurum Hamiltonii (Plant) Rel Props:Reference:ISBN:9770972795006 - 11. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Dorstenia Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:ISBN:9780896038776 - 19. Outgoing r'ship
FOUND_INto/from Forsythia Giraldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Jasminum Auriculatum (Plant) Rel Props:Reference:ISBN:9788185042084 - 21. Outgoing r'ship
FOUND_INto/from Krameria Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Neopicrorhiza Scrophulariiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all - 26. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Vernonia Profuga (Plant) Rel Props:Source_db:cmaup_ingredients