| Properties | Image |
|---|
| MNX_ID | MNXM319100 |
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| reference | slm:000436701 |
| formula | C55H89O16P2 |
| global charge | -3 |
| mol weight | 1068.249 |
| InChIKey | AVDSEYZLHADWTN-KECCVNIZSA-K |
| InChI | InChI=1S/C55H92O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(57)69-47(45-67-48(56)43-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h5-8,11-14,17-19,21-22,24-25,29,47,50-55,58-61H,3-4,9-10,15-16,20,23,26-28,30-46H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,29-18-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/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/C55H92O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(57)69-47(45-67-48(56)43-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h5-8,11-14,17-19,21-22,24-25,29,47,50-55,58-61H,3-4,9-10,15-16,20,23,26-28,30-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,29-18-/t47-,50-,51-,52-,53-,54+,55-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:69][C@H:47]([CH2:45][O:67][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:56])[CH2:46][O:68][P:73]([OH:65])(=[O:66])[O:71][C@@H:55]1[C@H:52]([OH:60])[C@H:50]([OH:58])[C@@H:51]([OH:59])[C@H:54]([O:70][P:72]([OH:62])([OH:63])=[O:64])[C@H:53]1[OH:61] |
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