| Properties | Image |
|---|
| MNX_ID | MNXM175194 |
 |
| reference | slm:000469173 |
| formula | C77H124O19P3 |
| global charge | -5 |
| mol weight | 1446.742 |
| InChIKey | LSHYMLSLKWFGSR-PKPYKBBDSA-I |
| InChI | InChI=1S/C77H129O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-70(78)91-67-69(68-92-99(89,90)96-75-72(80)73(81)76(94-97(83,84)85)77(74(75)82)95-98(86,87)88)93-71(79)66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,69,72-77,80-82H,3-4,9-10,15-16,21-22,27-28,33-34,39-68H2,1-2H3,(H,89,90)(H2,83,84,85)(H2,86,87,88)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/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\C/C=C\CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C77H129O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-70(78)91-67-69(68-92-99(89,90)96-75-72(80)73(81)76(94-97(83,84)85)77(74(75)82)95-98(86,87)88)93-71(79)66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,69,72-77,80-82H,3-4,9-10,15-16,21-22,27-28,33-34,39-68H2,1-2H3,(H,89,90)(H2,83,84,85)(H2,86,87,88)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/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]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][C:70](=[O:78])[O:91][CH2:67][C@H:69]([CH2:68][O:92][P:99]([OH:89])(=[O:90])[O:96][C@@H:75]1[C@H:72]([OH:80])[C@H:73]([OH:81])[C@@H:76]([O:94][P:97]([OH:83])([OH:84])=[O:85])[C@H:77]([O:95][P:98]([OH:86])([OH:87])=[O:88])[C@H:74]1[OH:82])[O:93][C:71]([CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[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:79] |
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