Substrate Report for: Cer-EOS-linoleate-9R-hydroperoxide
| Cer-EOS-linoleate-9R-hydroperoxide | Formula | C67H127NO7 |
|---|
| | C68H127NO7 |
| MW | 1058.74 |
| | 1070.75 |
|  |
| Paper | Tyrrell_2021_J.Lipid.Res_62_100094 |
| Comment | skin-specific acylceramide Cer-EOS (Esterified Omega-hydroxy-Sphingosine), forming the linoleate 9R-hydroperoxide as the ceramide ester |
| Gene_locus | human-EPHX3 |
| Family | Epoxide_hydrolase |
| InChIKey | FYHYOVGLGXKCNQ-WNQLDZGUSA-N |
| | JWEQVNBKLNPSDQ-DBNICRHBSA-N |
| CanonicalSMILES | C(C=CC(C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC1C(C=CC(CCCC)O)O1)O)CCCCCCCCCCCC |
| | C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC[C]1[C]([C]=[C]C(CCCC[C])=O)O1)=O)([N][C]([C]([C]=[C]CCCCCCCCCCCC[C])[O])C[O])=O |
| InChI | InChI=1S/C67H127NO7/c1-3-5-7-8-9-10-11-29-32-35-38-42-47-53-63(71)62(60-69)68-66(72)55-49-44-39-36-33-30-27-25-23-21-19-17-15-13-12-14-16-18-20-22-24-26-28-31-34-37-40-46-51-59-74-67(73)56-50-45-41-43-48-54-64-65(75-64)58-57-61(70)52-6-4-2/h47,53,57-58,61-65,69-71H,3-46,48-52,54-56,59-60H2,1-2H3,(H,68,72)/b53-47+,58-57+ |
| | InChI=1S/C68H127NO7/c1-3-5-7-8-9-10-11-29-32-35-38-42-48-54-64(72)63(61-70)69-67(73)56-50-44-39-36-33-30-27-25-23-21-19-17-15-13-12-14-16-18-20-22-24-26-28-31-34-37-40-46-52-60-75-68(74)57-51-45-41-43-49-55-65-66(76-65)59-58-62(71)53-47-6-4-2/h48,54,58-59,63-66,70,72H,3-47,49-53,55-57,60-61H2,1-2H3,(H,69,73)/b54-48+,59-58+ |
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