| Properties | Image |
|---|
| MNX_ID | MNXM218948 |
 |
| reference | slm:000465776 |
| formula | C63H106O19P3 |
| global charge | -5 |
| mol weight | 1260.444 |
| InChIKey | IFTBNPDZHMWYML-ANJFUBMTSA-I |
| InChI | InChI=1S/C63H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-57(65)79-55(53-77-56(64)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-61-58(66)59(67)62(80-83(69,70)71)63(60(61)68)81-84(72,73)74/h5,7,11-14,17-20,23-24,26-27,55,58-63,66-68H,3-4,6,8-10,15-16,21-22,25,28-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/p-5/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t55-,58-,59+,60+,61-,62-,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-57(65)79-55(53-77-56(64)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-61-58(66)59(67)62(80-83(69,70)71)63(60(61)68)81-84(72,73)74/h5,7,11-14,17-20,23-24,26-27,55,58-63,66-68H,3-4,6,8-10,15-16,21-22,25,28-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t55-,58-,59+,60+,61-,62-,63-/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][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:65])[O:79][C@H:55]([CH2:53][O:77][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:54][O:78][P:85]([OH:75])(=[O:76])[O:82][C@@H:61]1[C@H:58]([OH:66])[C@H:59]([OH:67])[C@@H:62]([O:80][P:83]([OH:69])([OH:70])=[O:71])[C@H:63]([O:81][P:84]([OH:72])([OH:73])=[O:74])[C@H:60]1[OH:68] |
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