| Properties | Image |
|---|
| MNX_ID | MNXM337566 |
 |
| reference | slm:000449929 |
| formula | C39H66O19P3 |
| global charge | -5 |
| mol weight | 931.86 |
| InChIKey | BXBMFMMBNTZTPM-SIIOXLCTSA-I |
| InChI | InChI=1S/C39H71O19P3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h7,9-10,12-13,15,31,34-39,42-44H,3-6,8,11,14,16-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b9-7-,12-10-,15-13-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C39H71O19P3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h7,9-10,12-13,15,31,34-39,42-44H,3-6,8,11,14,16-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b9-7-,12-10-,15-13-/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:55][C@H:31]([CH2:29][O:53][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[CH2:30][O:54][P:61]([OH:51])(=[O:52])[O:58][C@@H:39]1[C@H:35]([OH:43])[C@H:37]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@@H:34]([OH:42])[C@H:38]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44] |
|