| Properties | Image |
|---|
| MNX_ID | MNXM184530 |
 |
| reference | slm:000439110 |
| formula | C33H53O22P4 |
| global charge | -7 |
| mol weight | 925.661 |
| InChIKey | BDHXBWLZWDXAGN-IWRACSLRSA-G |
| InChI | InChI=1S/C33H60O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)49-23-26(51-25(2)34)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h7-8,10-11,13-14,26,28-33,36-37H,3-6,9,12,15-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/p-7/b8-7-,11-10-,14-13-/t26-,28+,29+,30-,31+,32-,33-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](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)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C33H60O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)49-23-26(51-25(2)34)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h7-8,10-11,13-14,26,28-33,36-37H,3-6,9,12,15-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/b8-7-,11-10-,14-13-/t26-,28+,29+,30-,31+,32-,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:35])[O:49][CH2:23][C@H:26]([CH2:24][O:50][P:59]([OH:47])(=[O:48])[O:55][C@@H:30]1[C@H:28]([OH:36])[C@H:31]([O:52][P:56]([OH:38])([OH:39])=[O:40])[C@@H:33]([O:54][P:58]([OH:44])([OH:45])=[O:46])[C@H:32]([O:53][P:57]([OH:41])([OH:42])=[O:43])[C@H:29]1[OH:37])[O:51][C:25]([CH3:2])=[O:34] |
|