| Properties | Image |
|---|
| MNX_ID | MNXM219124 |
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| reference | slm:000452988 |
| formula | C67H117O16P2 |
| global charge | -3 |
| mol weight | 1240.605 |
| InChIKey | ZQHUNIUYSHSCJT-AJPOMMFHSA-K |
| InChI | InChI=1S/C67H120O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,59,62-67,70-73H,3-10,15-16,21-22,25,28-58H2,1-2H3,(H,77,78)(H2,74,75,76)/p-3/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t59-,62+,63+,64-,65-,66-,67+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C67H120O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,26-27,59,62-67,70-73H,3-10,15-16,21-22,25,28-58H2,1-2H3,(H,77,78)(H2,74,75,76)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t59-,62+,63+,64-,65-,66-,67+/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][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][C:61](=[O:69])[O:81][C@H:59]([CH2:57][O:79][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:68])[CH2:58][O:80][P:85]([OH:77])(=[O:78])[O:83][C@H:67]1[C@H:64]([OH:72])[C@@H:62]([OH:70])[C@H:63]([OH:71])[C@@H:66]([O:82][P:84]([OH:74])([OH:75])=[O:76])[C@H:65]1[OH:73] |
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