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3,5,7,9,11,13,15,17,19-nonaoxohenicosanoate
MNXM164198 is deprecated and here replaced by MNXM1368575
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368575 |
 |
| reference | metacycM:CPD-18167 |
| formula | C21H23O11 |
| global charge | -1 |
| mol weight | 451.404 |
| InChIKey | PURNWHCCRVOHRA-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H24O11/c1-2-12(22)3-13(23)4-14(24)5-15(25)6-16(26)7-17(27)8-18(28)9-19(29)10-20(30)11-21(31)32/h2-11H2,1H3,(H,31,32)/p-1 |
| SMILES | CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H24O11/c1-2-12(22)3-13(23)4-14(24)5-15(25)6-16(26)7-17(27)8-18(28)9-19(29)10-20(30)11-21(31)32/h2-11H2,1H3,(H,31,32) |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C:12]([CH2:3][C:13]([CH2:4][C:14]([CH2:5][C:15]([CH2:6][C:16]([CH2:7][C:17]([CH2:8][C:18]([CH2:9][C:19]([CH2:10][C:20]([CH2:11][C:21](=[O:31])[OH:32])=[O:30])=[O:29])=[O:28])=[O:27])=[O:26])=[O:25])=[O:24])=[O:23])=[O:22] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|