| Properties | Image |
|---|
| MNX_ID | MNXM201980 |
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| reference | slm:000439591 |
| formula | C46H81O22P4 |
| global charge | -7 |
| mol weight | 1110.028 |
| InChIKey | ADXFCLXEQQVGEM-WDJHKOBFSA-G |
| InChI | InChI=1S/C46H88O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)62-36-38(64-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)37-63-72(60,61)68-43-41(49)44(65-69(51,52)53)46(67-71(57,58)59)45(42(43)50)66-70(54,55)56/h11,13,17,19,38,41-46,49-50H,3-10,12,14-16,18,20-37H2,1-2H3,(H,60,61)(H2,51,52,53)(H2,54,55,56)(H2,57,58,59)/p-7/b13-11-,19-17-/t38-,41+,42+,43-,44+,45-,46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H88O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)62-36-38(64-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)37-63-72(60,61)68-43-41(49)44(65-69(51,52)53)46(67-71(57,58)59)45(42(43)50)66-70(54,55)56/h11,13,17,19,38,41-46,49-50H,3-10,12,14-16,18,20-37H2,1-2H3,(H,60,61)(H2,51,52,53)(H2,54,55,56)(H2,57,58,59)/b13-11-,19-17-/t38-,41+,42+,43-,44+,45-,46-/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][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:62][CH2:36][C@H:38]([CH2:37][O:63][P:72]([OH:60])(=[O:61])[O:68][C@@H:43]1[C@H:41]([OH:49])[C@H:44]([O:65][P:69]([OH:51])([OH:52])=[O:53])[C@@H:46]([O:67][P:71]([OH:57])([OH:58])=[O:59])[C@H:45]([O:66][P:70]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50])[O:64][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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