| Properties | Image |
|---|
| MNX_ID | MNXM1107760 |
 |
| reference | biggM:u3aga |
| formula | C31H51N3O19P2 |
| global charge | -2 |
| mol weight | 831.699 |
| InChIKey | TZSJGZGYQDNRRX-UHFFFAOYSA-L |
| InChI | InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/p-2 |
| SMILES | CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)C1NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19?,20?,21?,24?,25?,26?,27?,28?,29?,30? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:19]([CH2:15][C:23](=[O:39])[O:51][CH:28]1[CH:24]([N:32]=[C:18]([CH3:2])[OH:36])[CH:30]([O:52][P:55]([OH:46])(=[O:47])[O:53][P:54]([OH:44])(=[O:45])[O:48][CH2:17][CH:21]2[CH:25]([OH:40])[CH:27]([OH:42])[CH:29]([N:34]3[CH:14]=[CH:13][C:22]([OH:38])=[N:33][C:31]3=[O:43])[O:49]2)[O:50][CH:20]([CH2:16][OH:35])[CH:26]1[OH:41])[OH:37] |
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