| Properties | Image |
|---|
| MNX_ID | MNXM357317 |
 |
| reference | slm:000431345 |
| formula | C66H116O19P3 |
| global charge | -5 |
| mol weight | 1306.557 |
| InChIKey | GAAMHMGGVTUHJL-NMEICHCKSA-I |
| InChI | InChI=1S/C66H121O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-60(68)82-58(56-80-59(67)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2)57-81-88(78,79)85-64-61(69)62(70)65(83-86(72,73)74)66(63(64)71)84-87(75,76)77/h5,7,11,13,17,19,23-24,26-27,58,61-66,69-71H,3-4,6,8-10,12,14-16,18,20-22,25,28-57H2,1-2H3,(H,78,79)(H2,72,73,74)(H2,75,76,77)/p-5/b7-5-,13-11-,19-17-,24-23-,27-26-/t58-,61-,62-,63+,64+,65+,66+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C66H121O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-60(68)82-58(56-80-59(67)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2)57-81-88(78,79)85-64-61(69)62(70)65(83-86(72,73)74)66(63(64)71)84-87(75,76)77/h5,7,11,13,17,19,23-24,26-27,58,61-66,69-71H,3-4,6,8-10,12,14-16,18,20-22,25,28-57H2,1-2H3,(H,78,79)(H2,72,73,74)(H2,75,76,77)/b7-5-,13-11-,19-17-,24-23-,27-26-/t58-,61-,62-,63+,64+,65+,66+/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: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][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:82][C@H:58]([CH2:56][O:80][C:59]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67])[CH2:57][O:81][P:88]([OH:78])(=[O:79])[O:85][C@H:64]1[C@H:61]([OH:69])[C@@H:62]([OH:70])[C@H:65]([O:83][P:86]([OH:72])([OH:73])=[O:74])[C@@H:66]([O:84][P:87]([OH:75])([OH:76])=[O:77])[C@H:63]1[OH:71] |
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