| Properties | Image |
|---|
| MNX_ID | MNXM193045 |
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| reference | slm:000445607 |
| formula | C57H106O19P3 |
| global charge | -5 |
| mol weight | 1188.378 |
| InChIKey | PBSBOQHAFOMJHX-HFISDQJCSA-I |
| InChI | InChI=1S/C57H111O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)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/h14,16,49,52-57,60-62H,3-13,15,17-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b16-14+/t49-,52-,53-,54-,55-,56+,57-/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](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H111O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)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/h14,16,49,52-57,60-62H,3-13,15,17-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b16-14+/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][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:73][C@H:49]([CH2:47][O:71][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[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] |
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