| Properties | Image |
|---|
| MNX_ID | MNXM219647 |
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| reference | slm:000446598 |
| formula | C47H82O19P3 |
| global charge | -5 |
| mol weight | 1044.076 |
| InChIKey | ORZLRSBKPRCGJD-NQGJJAGJSA-I |
| InChI | InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)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/h11,13,17-18,26,28,39,42-47,50-52H,3-10,12,14-16,19-25,27,29-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b13-11-,18-17-,28-26-/t39-,42-,43-,44-,45-,46+,47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H87O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2)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/h11,13,17-18,26,28,39,42-47,50-52H,3-10,12,14-16,19-25,27,29-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11-,18-17-,28-26-/t39-,42-,43-,44-,45-,46+,47-/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:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][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]/[CH:28]=[CH:26]\[CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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