| Properties | Image |
|---|
| MNX_ID | MNXM221477 |
 |
| reference | slm:000446636 |
| formula | C59H98O19P3 |
| global charge | -5 |
| mol weight | 1204.336 |
| InChIKey | BMNLFDDRQCSDJD-NVSPDNNPSA-I |
| InChI | InChI=1S/C59H103O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)75-51(49-73-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-59-55(63)57(76-79(65,66)67)54(62)58(56(59)64)77-80(68,69)70/h5,7,11,13,17-20,23-24,26-27,30,32,51,54-59,62-64H,3-4,6,8-10,12,14-16,21-22,25,28-29,31,33-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/p-5/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-,32-30-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)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/C59H103O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)75-51(49-73-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-59-55(63)57(76-79(65,66)67)54(62)58(56(59)64)77-80(68,69)70/h5,7,11,13,17-20,23-24,26-27,30,32,51,54-59,62-64H,3-4,6,8-10,12,14-16,21-22,25,28-29,31,33-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-,32-30-/t51-,54-,55-,56-,57-,58+,59-/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:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:75][C@H:51]([CH2:49][O:73][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:74][P:81]([OH:71])(=[O:72])[O:78][C@@H:59]1[C@H:55]([OH:63])[C@H:57]([O:76][P:79]([OH:65])([OH:66])=[O:67])[C@@H:54]([OH:62])[C@H:58]([O:77][P:80]([OH:68])([OH:69])=[O:70])[C@H:56]1[OH:64] |
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