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a phthiocerol
MNXM75251 is deprecated and here replaced by MNXM740020
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM740020 |
 |
| reference | metacycM:Phthiocerols |
| formula | C27H54O3*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@@H](C[*])OC |
MNX internals
| InChI (mnx) | InChI=1/C29H60O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(30)25-28(31)24-21-20-22-26(3)29(6-2)32-4/h26-31H,5-25H2,1-4H3/t26-,27+,28+,29+/m0/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][C@H:27]([CH2:25][C@@H:28]([CH2:24][CH2:21][CH2:20][CH2:22][C@H:26]([CH3:3])[C@@H:29]([CH2:6][13CH3:2])[O:32][CH3:4])[OH:31])[OH:30] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|