| Properties | Image |
|---|
| MNX_ID | MNXM192077 |
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| reference | slm:000439189 |
| formula | C29H49O22P4 |
| global charge | -7 |
| mol weight | 873.585 |
| InChIKey | QSACLLLPLLLYBU-YTMXGETKSA-G |
| InChI | InChI=1S/C29H56O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)45-19-22(47-21(2)30)20-46-55(43,44)51-26-24(32)27(48-52(34,35)36)29(50-54(40,41)42)28(25(26)33)49-53(37,38)39/h8-9,22,24-29,32-33H,3-7,10-20H2,1-2H3,(H,43,44)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)/p-7/b9-8+/t22-,24+,25+,26-,27+,28-,29-/m1/s1 |
| SMILES | CCCCCC/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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C29H56O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)45-19-22(47-21(2)30)20-46-55(43,44)51-26-24(32)27(48-52(34,35)36)29(50-54(40,41)42)28(25(26)33)49-53(37,38)39/h8-9,22,24-29,32-33H,3-7,10-20H2,1-2H3,(H,43,44)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)/b9-8+/t22-,24+,25+,26-,27+,28-,29-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]/[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:23](=[O:31])[O:45][CH2:19][C@H:22]([CH2:20][O:46][P:55]([OH:43])(=[O:44])[O:51][C@@H:26]1[C@H:24]([OH:32])[C@H:27]([O:48][P:52]([OH:34])([OH:35])=[O:36])[C@@H:29]([O:50][P:54]([OH:40])([OH:41])=[O:42])[C@H:28]([O:49][P:53]([OH:37])([OH:38])=[O:39])[C@H:25]1[OH:33])[O:47][C:21]([CH3:2])=[O:30] |
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