| Properties | Image |
|---|
| MNX_ID | MNXM1049465 |
 |
| reference | slm:000741863 |
| formula | C51H91N3O15P2 |
| global charge | -2 |
| mol weight | 1048.243 |
| InChIKey | JDAWNWJZFIOJOD-BTVGJIJUSA-L |
| InChI | InChI=1S/C51H93N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-47(56)67-43(40-64-46(55)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)41-65-70(60,61)69-71(62,63)66-42-44-48(57)49(58)50(68-44)54-39-38-45(52)53-51(54)59/h17,19,38-39,43-44,48-50,57-58H,3-16,18,20-37,40-42H2,1-2H3,(H,60,61)(H,62,63)(H2,52,53,59)/p-2/b19-17-/t43-,44-,48-,49-,50-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H93N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-47(56)67-43(40-64-46(55)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)41-65-70(60,61)69-71(62,63)66-42-44-48(57)49(58)50(68-44)54-39-38-45(52)53-51(54)59/h17,19,38-39,43-44,48-50,57-58H,3-16,18,20-37,40-42H2,1-2H3,(H,60,61)(H,62,63)(H2,52,53,59)/b19-17-/t43-,44-,48-,49-,50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:47](=[O:56])[O:67][C@H:43]([CH2:40][O:64][C:46]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[CH2:41][O:65][P:70]([OH:60])(=[O:61])[O:69][P:71]([OH:62])(=[O:63])[O:66][CH2:42][C@@H:44]1[C@@H:48]([OH:57])[C@@H:49]([OH:58])[C@H:50]([N:54]2[CH:39]=[CH:38][C:45](=[NH:52])[N:53]=[C:51]2[OH:59])[O:68]1 |
|