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Core4
MNXM4704 is deprecated and here replaced by MNXM1104107
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1104107 |
 |
| reference | biggM:core4 |
| formula | C24H40N3O15* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*][C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C25H43N3O15/c1-8-15(26-9(2)31)23(43-25-17(28-11(4)33)22(38)19(35)13(6-30)42-25)20(36)14(40-8)7-39-24-16(27-10(3)32)21(37)18(34)12(5-29)41-24/h8,12-25,29-30,34-38H,5-7H2,1-4H3,(H,26,31)(H,27,32)(H,28,33)/t8-,12-,13-,14-,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25+/m1/s1/i1+1 |
 |
| SMILES (mnx) | [13CH3:1][C@@H:8]1[C@H:15]([N:26]=[C:9]([CH3:2])[OH:31])[C@@H:23]([O:43][C@H:25]2[C@H:17]([N:28]=[C:11]([CH3:4])[OH:33])[C@@H:22]([OH:38])[C@H:19]([OH:35])[C@@H:13]([CH2:6][OH:30])[O:42]2)[C@@H:20]([OH:36])[C@@H:14]([CH2:7][O:39][C@H:24]2[C@H:16]([N:27]=[C:10]([CH3:3])[OH:32])[C@@H:21]([OH:37])[C@H:18]([OH:34])[C@@H:12]([CH2:5][OH:29])[O:41]2)[O:40]1 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
4 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
bigg.metabolite:core4
biggM:core4
| Core4
|
biggM:M_core4
| secondary/obsolete/fantasy identifier
|