| Properties | Image |
|---|
| MNX_ID | MNXM344056 |
 |
| reference | slm:000430966 |
| formula | C39H60O19P3 |
| global charge | -5 |
| mol weight | 925.812 |
| InChIKey | ZETPCGUXXCEDRP-AJUQZFNWSA-I |
| InChI | InChI=1S/C39H65O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-33(41)55-31(29-53-32(40)27-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h5-6,8-9,11-12,14-15,17-18,20-21,31,34-39,42-44H,3-4,7,10,13,16,19,22-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t31-,34-,35-,36+,37+,38+,39+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H65O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-33(41)55-31(29-53-32(40)27-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h5-6,8-9,11-12,14-15,17-18,20-21,31,34-39,42-44H,3-4,7,10,13,16,19,22-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t31-,34-,35-,36+,37+,38+,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][C:33](=[O:41])[O:55][C@H:31]([CH2:29][O:53][C:32]([CH2:27][CH2:4][CH3:2])=[O:40])[CH2:30][O:54][P:61]([OH:51])(=[O:52])[O:58][C@H:37]1[C@H:34]([OH:42])[C@@H:35]([OH:43])[C@H:38]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@@H:39]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44] |
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