| Properties | Image |
|---|
| MNX_ID | MNXM336382 |
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| reference | slm:000449903 |
| formula | C57H96O19P3 |
| global charge | -5 |
| mol weight | 1178.298 |
| InChIKey | CKQOMRNGZAUVMT-IBNNXVOYSA-I |
| InChI | InChI=1S/C57H101O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-37-35-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,19-20,22-23,49,52-57,60-62H,3-4,6,8-9,14-15,18,21,24-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t49-,52-,53-,54-,55-,56+,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C57H101O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-37-35-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,19-20,22-23,49,52-57,60-62H,3-4,6,8-9,14-15,18,21,24-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t49-,52-,53-,54-,55-,56+,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][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][CH2:14]/[CH:12]=[CH: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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