| Properties | Image |
|---|
| MNX_ID | MNXM226006 |
 |
| reference | slm:000453184 |
| formula | C47H77O16P2 |
| global charge | -3 |
| mol weight | 960.065 |
| InChIKey | JKSASPIJUFEKGX-KZLPCYTCSA-K |
| InChI | InChI=1S/C47H80O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-40(48)59-37-39(61-41(49)36-33-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,9-10,12-13,15-16,18-19,21-22,39,42-47,50-53H,3-4,6,8,11,14,17,20,23-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-/t39-,42+,43+,44-,45-,46-,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H80O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-40(48)59-37-39(61-41(49)36-33-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,9-10,12-13,15-16,18-19,21-22,39,42-47,50-53H,3-4,6,8,11,14,17,20,23-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-/t39-,42+,43+,44-,45-,46-,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:35][C:40](=[O:48])[O:59][CH2:37][C@H:39]([CH2:38][O:60][P:65]([OH:57])(=[O:58])[O:63][C@H:47]1[C@H:44]([OH:52])[C@@H:42]([OH:50])[C@H:43]([OH:51])[C@@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:45]1[OH:53])[O:61][C:41]([CH2:36][CH2:33][CH2:6][CH2:4][CH3:2])=[O:49] |
|