| Properties | Image |
|---|
| MNX_ID | MNXM217585 |
 |
| reference | slm:000433727 |
| formula | C55H95O16P2 |
| global charge | -3 |
| mol weight | 1074.297 |
| InChIKey | WWWBQSCTXRSIPE-LDCCKAHCSA-K |
| InChI | InChI=1S/C55H98O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)67-45-47(69-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h11,13,17,19,21-22,24-25,34,36,47,50-55,58-61H,3-10,12,14-16,18,20,23,26-33,35,37-46H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b13-11-,19-17-,22-21-,25-24-,36-34-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)67-45-47(69-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h11,13,17,19,21-22,24-25,34,36,47,50-55,58-61H,3-10,12,14-16,18,20,23,26-33,35,37-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b13-11-,19-17-,22-21-,25-24-,36-34-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:67][CH2:45][C@H:47]([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])[O:69][C:49]([CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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