| Properties | Image |
|---|
| MNX_ID | MNXM193479 |
 |
| reference | slm:000458506 |
| formula | C65H107O16P2 |
| global charge | -3 |
| mol weight | 1206.503 |
| InChIKey | ZTDQWBXKZSRABM-DXUHSLNPSA-K |
| InChI | InChI=1S/C65H110O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-54-59(67)79-57(56-78-83(75,76)81-65-62(70)60(68)64(61(69)63(65)71)80-82(72,73)74)55-77-58(66)53-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,33,35,57,60-65,68-71H,3-5,7,9-10,15-16,21-22,27,30-32,34,36-56H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,35-33-/t57-,60-,61+,62-,63-,64+,65+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H110O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-54-59(67)79-57(56-78-83(75,76)81-65-62(70)60(68)64(61(69)63(65)71)80-82(72,73)74)55-77-58(66)53-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,33,35,57,60-65,68-71H,3-5,7,9-10,15-16,21-22,27,30-32,34,36-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,35-33-/t57-,60-,61+,62-,63-,64+,65+/m1/s1 |
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| 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]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:59](=[O:67])[O:79][C@H:57]([CH2:55][O:77][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[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:66])[CH2:56][O:78][P:83]([OH:75])(=[O:76])[O:81][C@H:65]1[C@H:62]([OH:70])[C@@H:60]([OH:68])[C@H:64]([O:80][P:82]([OH:72])([OH:73])=[O:74])[C@@H:61]([OH:69])[C@H:63]1[OH:71] |
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