| Properties | Image |
|---|
| MNX_ID | MNXM1050956 |
 |
| reference | slm:000743356 |
| formula | C50H77N3O15P2 |
| global charge | -2 |
| mol weight | 1022.12 |
| InChIKey | GWVBPSKGTWQILD-QDFLWZIESA-L |
| InChI | InChI=1S/C50H79N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-45(54)63-39-42(66-46(55)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11-14,17-19,21-23,26-29,37-38,42-43,47-49,56-57H,3-10,15-16,20,24-25,30-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t42-,43-,47-,48-,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H79N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-45(54)63-39-42(66-46(55)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11-14,17-19,21-23,26-29,37-38,42-43,47-49,56-57H,3-10,15-16,20,24-25,30-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t42-,43-,47-,48-,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][C:45](=[O:54])[O:63][CH2:39][C@H:42]([CH2:40][O:64][P:69]([OH:59])(=[O:60])[O:68][P:70]([OH:61])(=[O:62])[O:65][CH2:41][C@@H:43]1[C@@H:47]([OH:56])[C@@H:48]([OH:57])[C@H:49]([N:53]2[CH:38]=[CH:37][C:44](=[NH:51])[N:52]=[C:50]2[OH:58])[O:67]1)[O:66][C:46]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
|