| Properties | Image |
|---|
| MNX_ID | MNXM193402 |
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| reference | slm:000471299 |
| formula | C54H93O13P2 |
| global charge | -3 |
| mol weight | 1012.273 |
| InChIKey | OTCGKAJJKYKEQX-DFMJGTDOSA-K |
| InChI | InChI=1S/C54H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(56)63-49-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)67-54(57)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26,28,51-52,55H,3-4,6,8-10,12,14-16,21-22,25,27,29-50H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b7-5-,13-11-,19-17-,20-18-,24-23-,28-26-/t51-,52+/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)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(56)63-49-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)67-54(57)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26,28,51-52,55H,3-4,6,8-10,12,14-16,21-22,25,27,29-50H2,1-2H3,(H,61,62)(H2,58,59,60)/b7-5-,13-11-,19-17-,20-18-,24-23-,28-26-/t51-,52+/m0/s1 |
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| 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:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:53](=[O:56])[O:63][CH2:49][C@H:52]([CH2:50][O:66][P:69]([OH:61])(=[O:62])[O:65][CH2:48][C@H:51]([CH2:47][O:64][P:68]([OH:58])([OH:59])=[O:60])[OH:55])[O:67][C:54]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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