| Properties | Image |
|---|
| MNX_ID | MNXM179905 |
 |
| reference | slm:000470911 |
| formula | C66H107O13P2 |
| global charge | -3 |
| mol weight | 1170.517 |
| InChIKey | HKJKDFGCFRTELY-PWODQZBFSA-K |
| InChI | InChI=1S/C66H110O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-66(69)79-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)61-75-65(68)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-30,33,35,39,41,63-64,67H,3-4,9-10,15-16,21-22,27-28,31-32,34,36-38,40,42-62H2,1-2H3,(H,73,74)(H2,70,71,72)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,35-33-,41-39-/t63-,64+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C66H110O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-66(69)79-64(62-78-81(73,74)77-60-63(67)59-76-80(70,71)72)61-75-65(68)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-30,33,35,39,41,63-64,67H,3-4,9-10,15-16,21-22,27-28,31-32,34,36-38,40,42-62H2,1-2H3,(H,73,74)(H2,70,71,72)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,35-33-,41-39-/t63-,64+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:66](=[O:69])[O:79][C@H:64]([CH2:61][O:75][C:65]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:68])[CH2:62][O:78][P:81]([OH:73])(=[O:74])[O:77][CH2:60][C@H:63]([CH2:59][O:76][P:80]([OH:70])([OH:71])=[O:72])[OH:67] |
|