10-Hydroxystearic Acid
PubChem CID: 9561835
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| Compound Synonyms | 10-Hydroxystearic acid, 10-HYDROXYOCTADECANOIC ACID, 638-26-6, Octadecanoic acid, 10-hydroxy-, Rosilic acid, 10-hydroxy-octadecanoic acid, 384M5B7IFL, 10-hydroxy stearic acid, MFCD08693364, NSC-79060, DL-10-hydroxy stearic acid, AI3-26309, CHEBI:143095, DL-10-HYDROXYSTEARIC ACID, DTXSID901314578, NSC 79060, STEARIC ACID, .IOTA.-HYDROXY-, 10-HYDROXYSTEARIC ACID, (+/-)-, C18H36O3, UNII-384M5B7IFL, USDA 10-hydroxystearic acid, SCHEMBL240199, xi-10-Hydroxyoctadecanoic acid, 10-HYDROXYOCTADECANOICACID, DTXCID801744398, NSC79060, STEARIC ACID, IOTA-HYDROXY-, LMFA02000128, AKOS000277642, AKOS028108373, 10-HYDROXYSTEARIC ACID [INCI], AS-58969, FH175827, SY243389, CS-0186310, A10837, B 190696, Q27256742 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Other Octadecanoids |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)O))))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of leaf cutins of rosemary. xi-10-Hydroxyoctadecanoic acid is found in herbs and spices. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxyoctadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36O3 |
| Inchi Key | PAZZVPKITDJCPV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 10-Hydroxy stearic acid, 10-Hydroxy-octadecanoic acid, 10-Hydroxystearic acid, 10-Hydroxy stearate, 10-Hydroxy-octadecanoate, 10-Hydroxystearate, XI-10-hydroxyoctadecanoate, 18:0(10-OH), 10-DL-Hydroxystearic acid, 10-Hydroxyoctadecanoic acid, Rosilate, 10-hydroxyoctadecanoic acid |
| Substituent Name | Long-chain fatty acid, Hydroxy fatty acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 10-Hydroxystearic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 300.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) |
| Smiles | CCCCCCCCC(CCCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Octadecanoids |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279