| Properties | Image |
|---|
| MNX_ID | MNXM345459 |
 |
| reference | slm:000456638 |
| formula | C45H75O16P2 |
| global charge | -3 |
| mol weight | 934.027 |
| InChIKey | CLTSYPPKROSKRS-RPUSSRKXSA-K |
| InChI | InChI=1S/C45H78O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11-12,14-15,17-18,20-21,23-24,37,40-45,48-51H,3-10,13,16,19,22,25-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b12-11-,15-14-,18-17-,21-20-,24-23-/t37-,40+,41+,42-,43-,44-,45+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H78O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11-12,14-15,17-18,20-21,23-24,37,40-45,48-51H,3-10,13,16,19,22,25-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b12-11-,15-14-,18-17-,21-20-,24-23-/t37-,40+,41+,42-,43-,44-,45+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:59][C@H:37]([CH2:35][O:57][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:36][O:58][P:63]([OH:55])(=[O:56])[O:61][C@H:45]1[C@H:42]([OH:50])[C@@H:40]([OH:48])[C@H:41]([OH:49])[C@@H:44]([O:60][P:62]([OH:52])([OH:53])=[O:54])[C@H:43]1[OH:51] |
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