| Properties | Image |
|---|
| MNX_ID | MNXM276474 |
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| reference | slm:000448432 |
| formula | C35H54O19P3 |
| global charge | -5 |
| mol weight | 871.72 |
| InChIKey | XKVOIFIUWOFKKM-SRJPTUTJSA-I |
| InChI | InChI=1S/C35H59O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)49-25-28(51-27(2)36)26-50-57(47,48)54-35-31(39)33(52-55(41,42)43)30(38)34(32(35)40)53-56(44,45)46/h7-8,10-11,13-14,16-17,19-20,28,30-35,38-40H,3-6,9,12,15,18,21-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/p-5/b8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30-,31-,32-,33-,34+,35-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C35H59O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)49-25-28(51-27(2)36)26-50-57(47,48)54-35-31(39)33(52-55(41,42)43)30(38)34(32(35)40)53-56(44,45)46/h7-8,10-11,13-14,16-17,19-20,28,30-35,38-40H,3-6,9,12,15,18,21-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/b8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30-,31-,32-,33-,34+,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][C:29](=[O:37])[O:49][CH2:25][C@H:28]([CH2:26][O:50][P:57]([OH:47])(=[O:48])[O:54][C@@H:35]1[C@H:31]([OH:39])[C@H:33]([O:52][P:55]([OH:41])([OH:42])=[O:43])[C@@H:30]([OH:38])[C@H:34]([O:53][P:56]([OH:44])([OH:45])=[O:46])[C@H:32]1[OH:40])[O:51][C:27]([CH3:2])=[O:36] |
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