| Properties | Image |
|---|
| MNX_ID | MNXM217146 |
 |
| reference | slm:000427300 |
| formula | C59H100O19P3 |
| global charge | -5 |
| mol weight | 1206.352 |
| InChIKey | MDAVYYJRFOSZSI-FTUFCNDOSA-I |
| InChI | InChI=1S/C59H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)73-49-51(75-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70/h11-14,17-20,23-24,26-27,51,54-59,62-64H,3-10,15-16,21-22,25,28-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/p-5/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t51-,54-,55-,56+,57+,58+,59+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H105O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)73-49-51(75-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70/h11-14,17-20,23-24,26-27,51,54-59,62-64H,3-10,15-16,21-22,25,28-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t51-,54-,55-,56+,57+,58+,59+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:73][CH2:49][C@H:51]([CH2:50][O:74][P:81]([OH:71])(=[O:72])[O:78][C@H:57]1[C@H:54]([OH:62])[C@@H:55]([OH:63])[C@H:58]([O:76][P:79]([OH:65])([OH:66])=[O:67])[C@@H:59]([O:77][P:80]([OH:68])([OH:69])=[O:70])[C@H:56]1[OH:64])[O:75][C:53]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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