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Digalactosylceramide
MNXM1921 is deprecated and here replaced by MNXM1104229
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1104229 |
 |
| reference | biggM:digalside_hs |
| formula | C31H56NO13* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C32H59NO13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(37)21(33-20(2)36)19-43-31-29(42)27(40)30(24(18-35)45-31)46-32-28(41)26(39)25(38)23(17-34)44-32/h15-16,21-32,34-35,37-42H,3-14,17-19H2,1-2H3,(H,33,36)/b16-15+/t21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31+,32+/m0/s1/i2+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]/[C@H:22]([C@H:21]([CH2:19][O:43][C@H:31]1[C@H:29]([OH:42])[C@@H:27]([OH:40])[C@@H:30]([O:46][C@@H:32]2[C@H:28]([OH:41])[C@@H:26]([OH:39])[C@@H:25]([OH:38])[C@@H:23]([CH2:17][OH:34])[O:44]2)[C@@H:24]([CH2:18][OH:35])[O:45]1)[N:33]=[C:20]([13CH3:2])[OH:36])[OH:37] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|