| Properties | Image |
|---|
| MNX_ID | MNXM199515 |
 |
| reference | slm:000445928 |
| formula | C47H82O19P3 |
| global charge | -5 |
| mol weight | 1044.076 |
| InChIKey | LVQMTQZHCPCAFD-HJYOLSQTSA-I |
| InChI | InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-47-43(51)45(64-67(53,54)55)42(50)46(44(47)52)65-68(56,57)58/h11,13-14,16-17,19,39,42-47,50-52H,3-10,12,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b13-11-,16-14+,19-17-/t39-,42-,43-,44-,45-,46+,47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-47-43(51)45(64-67(53,54)55)42(50)46(44(47)52)65-68(56,57)58/h11,13-14,16-17,19,39,42-47,50-52H,3-10,12,15,18,20-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,16-14+,19-17-/t39-,42-,43-,44-,45-,46+,47-/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][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:61][CH2:37][C@H:39]([CH2:38][O:62][P:69]([OH:59])(=[O:60])[O:66][C@@H:47]1[C@H:43]([OH:51])[C@H:45]([O:64][P:67]([OH:53])([OH:54])=[O:55])[C@@H:42]([OH:50])[C@H:46]([O:65][P:68]([OH:56])([OH:57])=[O:58])[C@H:44]1[OH:52])[O:63][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
|