| Properties | Image |
|---|
| MNX_ID | MNXM193472 |
 |
| reference | slm:000471303 |
| formula | C62H103O13P2 |
| global charge | -3 |
| mol weight | 1118.441 |
| InChIKey | HJLSCODSXBBNPG-ZIQFCYHZSA-K |
| InChI | InChI=1S/C62H106O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)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/h6,8,11-14,17-20,23-26,28-29,33,35,59-60,63H,3-5,7,9-10,15-16,21-22,27,30-32,34,36-58H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,35-33-/t59-,60+/m0/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-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H106O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)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/h6,8,11-14,17-20,23-26,28-29,33,35,59-60,63H,3-5,7,9-10,15-16,21-22,27,30-32,34,36-58H2,1-2H3,(H,69,70)(H2,66,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,35-33-/t59-,60+/m0/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:62](=[O:65])[O:75][C@H:60]([CH2:57][O:71][C:61]([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:64])[CH2:58][O:74][P:77]([OH:69])(=[O:70])[O:73][CH2:56][C@H:59]([CH2:55][O:72][P:76]([OH:66])([OH:67])=[O:68])[OH:63] |
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