| Properties | Image |
|---|
| MNX_ID | MNXM175407 |
 |
| reference | slm:000475581 |
| formula | C82H141O13P2 |
| global charge | -3 |
| mol weight | 1396.965 |
| InChIKey | CLNHTAJADAECQU-FBAIZJKRSA-K |
| InChI | InChI=1S/C82H144O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-81(84)91-77-80(78-94-97(89,90)93-76-79(83)75-92-96(86,87)88)95-82(85)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,79-80,83H,3-4,9-10,15-16,21-22,27-28,33-78H2,1-2H3,(H,89,90)(H2,86,87,88)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t79-,80+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C82H144O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-81(84)91-77-80(78-94-97(89,90)93-76-79(83)75-92-96(86,87)88)95-82(85)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,79-80,83H,3-4,9-10,15-16,21-22,27-28,33-78H2,1-2H3,(H,89,90)(H2,86,87,88)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t79-,80+/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:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][CH2:69][CH2:71][CH2:73][C:81](=[O:84])[O:91][CH2:77][C@H:80]([CH2:78][O:94][P:97]([OH:89])(=[O:90])[O:93][CH2:76][C@H:79]([CH2:75][O:92][P:96]([OH:86])([OH:87])=[O:88])[OH:83])[O:95][C:82]([CH2:74][CH2:72][CH2:70][CH2:68][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[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:85] |
|