| Properties | Image |
|---|
| MNX_ID | MNXM297537 |
 |
| reference | slm:000461711 |
| formula | C48H83O16P2 |
| global charge | -3 |
| mol weight | 978.124 |
| InChIKey | KITFROPYBONHQN-IWPUHUBESA-K |
| InChI | InChI=1S/C48H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)47(44(52)46(48)54)63-65(55,56)57/h11,13,17,19,21-22,25-26,40,43-48,51-54H,3-10,12,14-16,18,20,23-24,27-39H2,1-2H3,(H,58,59)(H2,55,56,57)/p-3/b13-11-,19-17-,22-21-,26-25-/t40-,43-,44+,45-,46-,47+,48+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)47(44(52)46(48)54)63-65(55,56)57/h11,13,17,19,21-22,25-26,40,43-48,51-54H,3-10,12,14-16,18,20,23-24,27-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b13-11-,19-17-,22-21-,26-25-/t40-,43-,44+,45-,46-,47+,48+/m1/s1 |
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| 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:21]=[CH:22]\[CH2:23]/[CH:25]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:60][CH2:38][C@H:40]([CH2:39][O:61][P:66]([OH:58])(=[O:59])[O:64][C@H:48]1[C@H:45]([OH:53])[C@@H:43]([OH:51])[C@H:47]([O:63][P:65]([OH:55])([OH:56])=[O:57])[C@@H:44]([OH:52])[C@H:46]1[OH:54])[O:62][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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