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14-hydroperoxy-H4-neuroprostane
MNXM12638 is deprecated and here replaced by MNXM727636
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM727636 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
2 |
|
| formula | C22H31O6 |
| charge | -1 |
| mass | 391.21261 |
| reference | biggM:CE6448 |
| InChIKey | RVZZVMGFWWGKMA-ZXUWZRAZSA-M |
| InChI | InChI=1S/C22H32O6/c1-2-3-4-5-6-8-11-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-9-7-10-13-22(23)24/h3-4,6-9,14-15,17-21,25H,2,5,10-13,16H2,1H3,(H,23,24)/p-1/b4-3-,8-6-,9-7?,15-14+/t17?,18-,19?,20?,21?/m0/s1 |
| SMILES | CC/C=C\C/C=C\CC(/C=C/C1C2CC(OO2)[C@H]1CC=CCCC(=O)[O-])OO |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
bigg.metabolite:CE6448
biggM:CE6448
| 14-hydroperoxy-H4-neuroprostane
|
| biggM:M_CE6448
| secondary/obsolete/fantasy identifier
|
