| Properties | Image |
|---|
| MNX_ID | MNXM216358 |
 |
| reference | slm:000452838 |
| formula | C61H97O16P2 |
| global charge | -3 |
| mol weight | 1148.379 |
| InChIKey | GJWLGHYGXDCEIV-OZRMZSOQSA-K |
| InChI | InChI=1S/C61H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-54(62)73-51-53(52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70)75-55(63)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-29,34,36,40,42,53,56-61,64-67H,3-4,6,8-10,15-16,21-22,26,30-33,35,37-39,41,43-52H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-,42-40-/t53-,56+,57+,58-,59-,60-,61+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-54(62)73-51-53(52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70)75-55(63)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-29,34,36,40,42,53,56-61,64-67H,3-4,6,8-10,15-16,21-22,26,30-33,35,37-39,41,43-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-,42-40-/t53-,56+,57+,58-,59-,60-,61+/m1/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]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:73][CH2:51][C@H:53]([CH2:52][O:74][P:79]([OH:71])(=[O:72])[O:77][C@H:61]1[C@H:58]([OH:66])[C@@H:56]([OH:64])[C@H:57]([OH:65])[C@@H:60]([O:76][P:78]([OH:68])([OH:69])=[O:70])[C@H:59]1[OH:67])[O:75][C:55]([CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[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:63] |
|