| Properties | Image |
|---|
| MNX_ID | MNXM296541 |
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| reference | slm:000468087 |
| formula | C49H82O19P3 |
| global charge | -5 |
| mol weight | 1068.098 |
| InChIKey | LMCBWIPVYVWFCX-VIDXCNEBSA-I |
| InChI | InChI=1S/C49H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h11,13,17,19,21-22,25,27-28,30,41,44-49,52-54H,3-10,12,14-16,18,20,23-24,26,29,31-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b13-11-,19-17-,22-21-,27-25-,30-28-/t41-,44-,45+,46+,47-,48-,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h11,13,17,19,21-22,25,27-28,30,41,44-49,52-54H,3-10,12,14-16,18,20,23-24,26,29,31-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b13-11-,19-17-,22-21-,27-25-,30-28-/t41-,44-,45+,46+,47-,48-,49-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:63][CH2:39][C@H:41]([CH2:40][O:64][P:71]([OH:61])(=[O:62])[O:68][C@@H:47]1[C@H:44]([OH:52])[C@H:45]([OH:53])[C@@H:48]([O:66][P:69]([OH:55])([OH:56])=[O:57])[C@H:49]([O:67][P:70]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54])[O:65][C:43]([CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:26][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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