9,10-Dihydroxystearic acid
PubChem CID: 89377
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| Compound Synonyms | 9,10-Dihydroxystearic acid, 9,10-Dihydroxyoctadecanoic acid, 120-87-6, Dioxystearinsaeure, 9,10-Dihydroxystearinsaeure, 9,10-Dihydroxystearate, 9,10-dihydroxy-octadecanoic acid, Octadecanoic acid, 9,10-dihydroxy-, EINECS 204-432-2, MFCD00046726, NSC 60305, 6C8DC6UQ5A, AI3-14192, 9,10-DHSA, CHEBI:28724, 9,10-diOH C18:0, DTXSID30870475, 9,10-diOH 18:0, NSC60305, NSC-60305, (+/-)-Erythro-9,10-dihydroxyoctadecanoic acid, DHSA, UNII-6C8DC6UQ5A, trans-9,10-Dihydroxystearic Acid, C18H36O4, (9R,10R)-rel-9,10-Dihydroxyoctadecanoic Acid, NCIOpen2_007703, SCHEMBL317522, CHEMBL4747409, Octadecanoic acid,10-dihydroxy-, DTXCID60219717, HY-N8522, EINECS 300-158-3, theta, etha - Dihydroxystearic acid, AC9026, LMFA02000142, AKOS000277636, AKOS024319019, FD39735, 9,10-Dihydroxyoctadecanoic acid, threo-, 9,10-DIHYDROXYSTEARIC ACID [MI], DA-70396, PD070894, SY263007, HY-166044, Octadecanoic acid, 9,10-dihydroxy-(8CI), CS-0145562, NS00010583, C19622, Octadecanoic acid, 9,10-dihydroxy-(8CI)(9CI), EN300-18537468, Q27103863, Calcium (9 or 10)-hydroxy-(10 or 9)-oxidooctadecanoate, 9,10-Dihydroxyoctadecanoic acid, 9,10-Dihydroxystearic acid, NSC 60305, 204-432-2 |
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| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | VACHUYIREGFMSP-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | 9,10-Dihydroxystearic acid |
| Description | 9,10-dihydroxystearic acid, also known as 9,10-dhsa or 9,10-dioh 18:0, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 9,10-dihydroxystearic acid is considered to be an octadecanoid lipid molecule. 9,10-dihydroxystearic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-dihydroxystearic acid can be found in peanut, which makes 9,10-dihydroxystearic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 316.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.261 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 316.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10-dihydroxyoctadecanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22) |
| Smiles | CCCCCCCCC(C(CCCCCCCC(=O)O)O)O |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H36O4 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all