| Properties | Image |
|---|
| MNX_ID | MNXM233022 |
 |
| reference | slm:000472597 |
| formula | C60H99O13P2 |
| global charge | -3 |
| mol weight | 1090.387 |
| InChIKey | ADVARZQCAHIBBQ-FPZZAMHNSA-K |
| InChI | InChI=1S/C60H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-59(62)69-55-58(56-72-75(67,68)71-54-57(61)53-70-74(64,65)66)73-60(63)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-25,27-28,31,36,38,57-58,61H,3-5,7,9-10,15-16,21-22,26,29-30,32-35,37,39-56H2,1-2H3,(H,67,68)(H2,64,65,66)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-24-,38-36-/t57-,58+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C60H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-59(62)69-55-58(56-72-75(67,68)71-54-57(61)53-70-74(64,65)66)73-60(63)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-25,27-28,31,36,38,57-58,61H,3-5,7,9-10,15-16,21-22,26,29-30,32-35,37,39-56H2,1-2H3,(H,67,68)(H2,64,65,66)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-24-,38-36-/t57-,58+/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]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:59](=[O:62])[O:69][CH2:55][C@H:58]([CH2:56][O:72][P:75]([OH:67])(=[O:68])[O:71][CH2:54][C@H:57]([CH2:53][O:70][P:74]([OH:64])([OH:65])=[O:66])[OH:61])[O:73][C:60]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:31]=[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:63] |
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