| Properties | Image |
|---|
| MNX_ID | MNXM175180 |
 |
| reference | slm:000449976 |
| formula | C57H104O19P3 |
| global charge | -5 |
| mol weight | 1186.362 |
| InChIKey | JMIWTXGWMZUDGE-JQTNWTSUSA-I |
| InChI | InChI=1S/C57H109O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)71-47-49(48-72-79(69,70)76-57-53(61)55(74-77(63,64)65)52(60)56(54(57)62)75-78(66,67)68)73-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52-57,60-62H,3-16,21-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b19-17-,20-18-/t49-,52-,53-,54-,55-,56+,57-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H109O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)71-47-49(48-72-79(69,70)76-57-53(61)55(74-77(63,64)65)52(60)56(54(57)62)75-78(66,67)68)73-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49,52-57,60-62H,3-16,21-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b19-17-,20-18-/t49-,52-,53-,54-,55-,56+,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:71][CH2:47][C@H:49]([CH2:48][O:72][P:79]([OH:69])(=[O:70])[O:76][C@@H:57]1[C@H:53]([OH:61])[C@H:55]([O:74][P:77]([OH:63])([OH:64])=[O:65])[C@@H:52]([OH:60])[C@H:56]([O:75][P:78]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62])[O:73][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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