9-hydroxy-10E,12Z-octadecadienoic acid
PubChem CID: 5282944
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| Compound Synonyms | 9-Hode, 98524-19-7, 9-hydroxy-10E,12Z-octadecadienoic acid, (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, (+/-)9-HODE, 9-hydroxy-trans-10,cis-12-octadecadienoic acid, 9-(E,Z)-Hode, XL87KT7C6Z, CHEMBL1077284, CHEBI:72651, (10E,12Z)-9-HODE, (10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid, ( inverted exclamation markA)9-HODE, 10,12-Octadecadienoicacid, 9-hydroxy-, (10E,12Z)-, 9-Hydroxy-10-trans,12-cis-octadecadienoic acid, 9-Hydroxy-(10E,12Z)-octadeca-10,12-dienoic acid, 10,12-Octadecadienoic acid, 9-hydroxy-, (10E,12Z)-, 9-hydroxy-10,12-octadecadienoic acid, 9-OH-18:2delta(10t,12t), UNII-XL87KT7C6Z, SCHEMBL122671, 10,12-Octadecadienoicacid,9-hydroxy-,(10E,12Z)-, 9-hydroxy-10,12-octadecadienoic acid, (E,E)-isomer, 9-hydroxy-10,12-octadecadienoic acid, (E,Z)-isomer, BML2-D05, (+/-)-alpha-Dimorphecolic acid, CHEBI:68946, 9-hydroxy-10,12-octadecadienoic acid, (R-(E,Z))-isomer, 9-hydroxy-10,12-octadecadienoic acid, (S-(E,Z))-isomer, NPDSHTNEKLQQIJ-ZJHFMPGASA-N, (??)9-HODE, 9-hydroxy-10,12-octadecadienoic acid, (E,E)-(+-)-isomer, 9-hydroxy-10,12-octadecadienoic acid, (E,Z)-(+-)-isomer, DTXSID101249404, alpha-Dimorphecolic acid, (+/-)-, BDBM50389675, LMFA02000151, 9-Hydroxy-10E,12Z-octadecadienoate, AKOS040755338, HY-113545A, NCGC00161317-01, (+/-)-.ALPHA.-DIMORPHECOLIC ACID, DB-214582, 9-Hydroxy-trans-10,cis-12-octadecadienoate, CS-0107696, NS00074057, .ALPHA.-DIMORPHECOLIC ACID, (+/-)-, 9-Hydroxy-10(E),12(Z)-octadecadienoic acid, (+/-)-9-hydroxy-10E,12Z-octadecadienoic acid, SR-01000946946, 9(r,s)-hydroxy-(e,z)-10,12-octadecadienoic acid, SR-01000946946-1, Q50318263 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P37231 |
| Iupac Name | (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 5.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C18H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPDSHTNEKLQQIJ-ZJHFMPGASA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.583 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.603 |
| Synonyms | (10E,12Z)-9-HODE, 9-Hydroxy-10E,12Z-octadecadienoic acid, 9-Hydroxy-trans-10,cis-12-octadecadienoic acid, 9-Hydroxy-10E,12Z-octadecadienoate, 9-Hydroxy-trans-10,cis-12-octadecadienoate, 9-Hydroxylinoleic acid, 9-Hydroxy-10,12-octadecadienoic acid, (S-(e,Z))-isomer, Dimorphecolic acid, 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-(+-)-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-(+-)-isomer, 9-OH-18:2DElta(10t,12t), 9-Hydroxy-10,12-octadecadienoic acid, 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (R-(e,Z))-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-isomer, (10E,12Z)-9-hydroxy-10,12-octadecadienoic acid, 9-hydroxy-10E,12Z-octadecadienoic acid, 9-hydroxy-(10E,12Z)-octadeca-10,12-dienoic acid, 9-hydroxy-10(E),12(Z)-octadecadienoic acid, 9-hydroxy-10-trans-12-cis-octadecadienoic acid, 9-hydroxy-trans-10-cis-12-octadecadienoic acid, 9-hydroxyoctadeca-10,12-dienoic acid, 9-(E,Z)-HODE, 9-HODE, 9-hydroxylinoleic acid, (10E,12Z)-9-HODE |
| Compound Name | 9-hydroxy-10E,12Z-octadecadienoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.1244961999999985 |
| Inchi | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+ |
| Smiles | CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Oxyacantha (Plant) Rel Props:Source_db:npass_chem_all