12-Hydroxystearic acid
PubChem CID: 7789
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| Compound Synonyms | 12-Hydroxystearic acid, 12-HYDROXYOCTADECANOIC ACID, 106-14-9, Octadecanoic acid, 12-hydroxy-, Hydroxystearic acid, Cerit Fac 3, Hydrofol acid 200, Ceroxin GL, Barolub FTO, DL-12-Hydroxystearic acid, Stearic acid, 12-hydroxy-, 36377-33-0, Loxiol G 21, 12-hydroxy-octadecanoic acid, NSC 2385, HSDB 5368, UNII-YXH47AOU0F, EINECS 203-366-1, EINECS 253-004-1, UNII-933ANU3H2S, DL-12-hydroxy stearic acid, BRN 1726730, 933ANU3H2S, DTXSID8026725, CHEBI:85208, AI3-19730, CASID HSA, NSC-2385, DL-12-HYDROXYOCTADECANOIC ACID, DTXCID606725, KOW, EC 203-366-1, 4-03-00-00942 (Beilstein Handbook Reference), MFCD00004592, 12-HYDROXYSTEARIC ACID (USP-RS), 12-HYDROXYSTEARIC ACID [USP-RS], CAS-106-14-9, 12-hydroxy stearic acid, 12-Hydroxyoctadecanoicacid, 12-Hydroxystearic acid estolide, 12-hydroxy-stearic acid, YXH47AOU0F, SCHEMBL17773, WLN: QV10YQ6, 12-HSA, CHEMBL292352, NSC2385, (?)-12-Hydroxyoctadecanoic acid, 12-Hydroxyoctadecanoic acid, 99%, 12-Hydroxystearic acid (Standard), AAA10614, HY-W127329R, EINECS 227-283-5, EINECS 242-295-0, Tox21_201492, Tox21_303035, LMFA02000130, AKOS016010128, HY-W127329, NCGC00164350-01, NCGC00164350-02, NCGC00257021-01, NCGC00259043-01, 78642-86-1, MS-24336, PD150654, 12-HYDROXYOCTADECANOIC ACID [HSDB], DB-180778, Octadecanoic acid, 12-hydroxy-, (+/-)-, CS-0185570, H0308, NS00008165, Octadecanoic acid, 12-hydroxy-, (A+/-)-, E82291, Q27158401, 12-Hydroxystearic acid, United States Pharmacopeia (USP) Reference Standard, 203-366-1, InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21 |
|---|---|
| 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 |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19793, Q07869, Q5NUL3, P29373, Q03181, P05412 |
| Iupac Name | 12-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 | ULQISTXYYBZJSJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 12-Hydroxy-octadecanoic acid, 12-Hydroxy-octadecanoate, 12-Hydroxystearate, DL-12-Hydroxystearic acid, DL-12-Hydroxy stearate, DL-12-Hydroxystearate, 12-Hydroxy stearic acid, 18:0(12-OH), 12-DL-Hydroxystearic acid, 12-Hydroxyoctadecanoic acid, 12-hydroxystearic acid, 12-Hydroxyoctadecanoate, 12-hydroxy-octadecanoic-acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 12-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/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) |
| Smiles | CCCCCCC(CCCCCCCCCCC(=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 Elaeagnus Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279