9(S)-Hode
PubChem CID: 5312830
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| Compound Synonyms | 9(S)-HODE, 73543-67-6, 9S-HODE, (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, alpha-dimorphecolic acid, (+)-alpha-Dimorphecolic acid, (9S)-Hydroxyoctadecadienoic acid, 9S-hydroxy-10E,12Z-octadecadienoic acid, Alpha-dimorphecolic, 42KE04U9BM, CHEBI:34496, (9S)-Hydroxyoctadecadinoiec acid, alpha-Dimorphecolic acid, (+)-, (9s,10e,12z)-9-hydroxy-10,12-octadecadienoic acid, alpha-Dimorphecolic acid, (9S)-, UNII-42KE04U9BM, (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid, 10,12-Octadecadienoic acid, 9-hydroxy-, (9S,10E,12Z)-, .ALPHA.-DIMORPHECOLIC ACID, DTXSID901017275, 10,12-Octadecadienoic acid, 9-hydroxy-, [S-(E,Z)]-, (+)-.ALPHA.-DIMORPHECOLIC ACID, .ALPHA.-DIMORPHECOLIC ACID, (+)-, .ALPHA.-DIMORPHECOLIC ACID, (9S)-, [S-(E,Z)]-9-hydroxy-10,12-Octadecadienoic acid, 10,12-Octadecadienoicacid, 9-hydroxy-, (9S,10E,12Z)-, 9(S)-Hydroxy-10(E),12(Z)-octadecadienoic acid, 10,12-Octadecadienoic acid, 9-hydroxy-, (S-(E,Z))-, (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoate, 9(S)-hydroxyoctadecadienoic acid, (9S)-Hydroxyoctadecadienoate, (9S)-alpha-dimorphecolic acid, BML2-D04, GTPL5567, SCHEMBL3188979, CHEMBL1230670, BCBcMAP01_000085, DTXCID201475482, HMS1361K07, LMFA02000188, 9S-hydroxy-10E,12Z-octadecadienoate, AKOS040755433, DB07302, IDI1_033955, NCGC00161316-01, PD005367, 9(S)-HODE, >=98% (HPLC), DB-215103, HY-113455, NS00069912, G91530, [S-(E,Z)]-9-hydroxy-10,12-Octadecadienoate, SR-01000946948, SR-01000946948-1, (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoate, Q27074045 |
|---|---|
| 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 | 1.0 |
| Uniprot Id | P27695 |
| Iupac Name | (9S,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-UINYOVNOSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.676 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 2.694 |
| Synonyms | (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid, (9S)-Hydroxyoctadecadienoic acid, (9S)-Hydroxyoctadecadinoiec acid, (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoate, (9S)-Hydroxyoctadecadienoate, a-Dimorphecolate, a-Dimorphecolic acid, alpha-Dimorphecolate, Α-dimorphecolate, Α-dimorphecolic acid, (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoate, (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid, 9(S)-HODE, 9S-Hydroxy-10E,12Z-octadecadienoate, 9S-Hydroxy-10E,12Z-octadecadienoic acid, alpha-Dimorphecolic, [S-(e,Z)]-9-Hydroxy-10,12-octadecadienoate, [S-(e,Z)]-9-Hydroxy-10,12-octadecadienoic acid, 9-Hydroxy-10,12-octadecadienoic acid, 9-Hydroxy-10,12-octadecadienoic acid, (R-(e,Z))-isomer, 9-HODE, 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (S-(e,Z))-isomer, 9-Hydroxylinoleic acid, Dimorphecolic acid, 9-OH-18:2DElta(10t,12t), 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-(+-)-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-isomer, 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-(+-)-isomer, 9-Hydroxyoctadecadienoic acid, 9S-HOD acid, (+)-alpha-Dimorphecolic acid, (+)-Α-dimorphecolic acid, (10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid, (9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid, (±)-alpha-dimorphecolic acid, (±)-α-dimorphecolic acid, 9-(e,Z)-HODE, 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, 9S-HODE, alpha-Dimorphecolic acid |
| Compound Name | 9(S)-Hode |
| 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+/t17-/m1/s1 |
| Smiles | CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
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