| Properties | Image |
|---|
| MNX_ID | MNXM181204 |
 |
| reference | slm:000451803 |
| formula | C73H123O16P2 |
| global charge | -3 |
| mol weight | 1318.719 |
| InChIKey | XZUOCEMECBWKIA-OEOAKBKUSA-K |
| InChI | InChI=1S/C73H126O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-67(75)87-65(64-86-91(83,84)89-73-70(78)68(76)69(77)72(71(73)79)88-90(80,81)82)63-85-66(74)61-59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,37,39,43,45,65,68-73,76-79H,3-10,15-16,21-22,27-28,31-36,38,40-42,44,46-64H2,1-2H3,(H,83,84)(H2,80,81,82)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,39-37-,45-43-/t65-,68+,69+,70-,71-,72-,73+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H126O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-67(75)87-65(64-86-91(83,84)89-73-70(78)68(76)69(77)72(71(73)79)88-90(80,81)82)63-85-66(74)61-59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,37,39,43,45,65,68-73,76-79H,3-10,15-16,21-22,27-28,31-36,38,40-42,44,46-64H2,1-2H3,(H,83,84)(H2,80,81,82)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,39-37-,45-43-/t65-,68+,69+,70-,71-,72-,73+/m1/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:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][C:67](=[O:75])[O:87][C@H:65]([CH2:63][O:85][C:66]([CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:39]=[CH:37]\[CH2:28]/[CH:26]=[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:74])[CH2:64][O:86][P:91]([OH:83])(=[O:84])[O:89][C@H:73]1[C@H:70]([OH:78])[C@@H:68]([OH:76])[C@H:69]([OH:77])[C@@H:72]([O:88][P:90]([OH:80])([OH:81])=[O:82])[C@H:71]1[OH:79] |
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