| Properties | Image |
|---|
| MNX_ID | MNXM187652 |
 |
| reference | slm:000439257 |
| formula | C42H69O22P4 |
| global charge | -7 |
| mol weight | 1049.888 |
| InChIKey | IHKQUBBULAIZCG-KOZNVTKTSA-G |
| InChI | InChI=1S/C42H76O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)60-34(31-58-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h5-6,8-9,11-12,14-15,33-34,37-42,45-46H,4,7,10,13,16-32H2,1-3H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/p-7/b6-5-,9-8-,12-11-,15-14-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C42H76O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)60-34(31-58-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h5-6,8-9,11-12,14-15,33-34,37-42,45-46H,4,7,10,13,16-32H2,1-3H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/b6-5-,9-8-,12-11-,15-14-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:20][CH2:24][CH2:27][CH2:30][C:36](=[O:44])[O:60][C@H:34]([CH2:31][O:58][C:35]([CH2:29][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:43])[CH2:32][O:59][P:68]([OH:56])(=[O:57])[O:64][C@@H:39]1[C@H:37]([OH:45])[C@H:40]([O:61][P:65]([OH:47])([OH:48])=[O:49])[C@@H:42]([O:63][P:67]([OH:53])([OH:54])=[O:55])[C@H:41]([O:62][P:66]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46] |
|