| Properties | Image |
|---|
| MNX_ID | MNXM231593 |
 |
| reference | slm:000453305 |
| formula | C77H129O16P2 |
| global charge | -3 |
| mol weight | 1372.811 |
| InChIKey | IPGQENTWZQFCMZ-WRJKHQBISA-K |
| InChI | InChI=1S/C77H132O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-71(79)91-69(68-90-95(87,88)93-77-74(82)72(80)73(81)76(75(77)83)92-94(84,85)86)67-89-70(78)65-63-61-59-57-55-53-51-49-47-45-43-41-39-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-31,39,69,72-77,80-83H,3-4,9-10,15-16,21-22,27-28,32-38,40-68H2,1-2H3,(H,87,88)(H2,84,85,86)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,39-30-/t69-,72+,73+,74-,75-,76-,77+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)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/C77H132O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-71(79)91-69(68-90-95(87,88)93-77-74(82)72(80)73(81)76(75(77)83)92-94(84,85)86)67-89-70(78)65-63-61-59-57-55-53-51-49-47-45-43-41-39-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-31,39,69,72-77,80-83H,3-4,9-10,15-16,21-22,27-28,32-38,40-68H2,1-2H3,(H,87,88)(H2,84,85,86)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,39-30-/t69-,72+,73+,74-,75-,76-,77+/m1/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:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][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][CH2:64][CH2:66][C:71](=[O:79])[O:91][C@H:69]([CH2:67][O:89][C:70]([CH2:65][CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:30]\[CH2:28]/[CH:26]=[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:78])[CH2:68][O:90][P:95]([OH:87])(=[O:88])[O:93][C@H:77]1[C@H:74]([OH:82])[C@@H:72]([OH:80])[C@H:73]([OH:81])[C@@H:76]([O:92][P:94]([OH:84])([OH:85])=[O:86])[C@H:75]1[OH:83] |
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