| Properties | Image |
|---|
| MNX_ID | MNXM315770 |
 |
| reference | slm:000492273 |
| formula | C67H111O16P2 |
| global charge | -3 |
| mol weight | 1234.557 |
| InChIKey | WLCHWPDBTGLDSC-REYYTHPWSA-K |
| InChI | InChI=1S/C67H114O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,35,39,41,59,62-67,70-73H,3-10,15-16,21-22,26,29,32-34,36-38,40,42-58H2,1-2H3,(H,77,78)(H2,74,75,76)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,35-24-,41-39-/t59-,62-,63-,64-,65-,66+,67-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C67H114O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,35,39,41,59,62-67,70-73H,3-10,15-16,21-22,26,29,32-34,36-38,40,42-58H2,1-2H3,(H,77,78)(H2,74,75,76)/b13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,35-24-,41-39-/t59-,62-,63-,64-,65-,66+,67-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:69])[O:81][C@H:59]([CH2:57][O:79][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:68])[CH2:58][O:80][P:85]([OH:77])(=[O:78])[O:83][C@@H:67]1[C@H:64]([OH:72])[C@H:62]([OH:70])[C@@H:63]([OH:71])[C@H:66]([O:82][P:84]([OH:74])([OH:75])=[O:76])[C@H:65]1[OH:73] |
|