| Properties | Image |
|---|
| MNX_ID | MNXM228171 |
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| reference | slm:000446814 |
| formula | C56H98O19P3 |
| global charge | -5 |
| mol weight | 1168.303 |
| InChIKey | PABUZQDZCOYADY-PNFDINTKSA-I |
| InChI | InChI=1S/C56H103O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-44-50(58)72-48(45-70-49(57)43-40-37-34-31-29-26-27-30-33-36-39-42-47(2)3)46-71-78(68,69)75-56-52(60)54(73-76(62,63)64)51(59)55(53(56)61)74-77(65,66)67/h8-9,11-12,14-15,17-18,47-48,51-56,59-61H,4-7,10,13,16,19-46H2,1-3H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/p-5/b9-8-,12-11-,15-14-,18-17-/t48-,51-,52-,53-,54-,55+,56-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C56H103O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-44-50(58)72-48(45-70-49(57)43-40-37-34-31-29-26-27-30-33-36-39-42-47(2)3)46-71-78(68,69)75-56-52(60)54(73-76(62,63)64)51(59)55(53(56)61)74-77(65,66)67/h8-9,11-12,14-15,17-18,47-48,51-56,59-61H,4-7,10,13,16,19-46H2,1-3H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/b9-8-,12-11-,15-14-,18-17-/t48-,51-,52-,53-,54-,55+,56-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:28][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:58])[O:72][C@H:48]([CH2:45][O:70][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH:47]([CH3:2])[CH3:3])=[O:57])[CH2:46][O:71][P:78]([OH:68])(=[O:69])[O:75][C@@H:56]1[C@H:52]([OH:60])[C@H:54]([O:73][P:76]([OH:62])([OH:63])=[O:64])[C@@H:51]([OH:59])[C@H:55]([O:74][P:77]([OH:65])([OH:66])=[O:67])[C@H:53]1[OH:61] |
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