| Properties | Image |
|---|
| MNX_ID | MNXM231117 |
 |
| reference | slm:000453275 |
| formula | C67H109O16P2 |
| global charge | -3 |
| mol weight | 1232.541 |
| InChIKey | PMIGQGVTKPPJQE-JJZHZGLTSA-K |
| InChI | InChI=1S/C67H112O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)79-57-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)81-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,34,38,40,59,62-67,70-73H,3-4,6,8-10,15-16,21-22,27-28,32-33,35-37,39,41-58H2,1-2H3,(H,77,78)(H2,74,75,76)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,40-38-/t59-,62+,63+,64-,65-,66-,67+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)79-57-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)81-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,34,38,40,59,62-67,70-73H,3-4,6,8-10,15-16,21-22,27-28,32-33,35-37,39,41-58H2,1-2H3,(H,77,78)(H2,74,75,76)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,40-38-/t59-,62+,63+,64-,65-,66-,67+/m1/s1 |
 |
| 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:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:79][CH2:57][C@H:59]([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])[O:81][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[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:69] |
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