| Properties | Image |
|---|
| MNX_ID | MNXM235694 |
 |
| reference | slm:000427891 |
| formula | C49H86O19P3 |
| global charge | -5 |
| mol weight | 1072.13 |
| InChIKey | FOZUCEGPKBNMFQ-XRTOHMLCSA-I |
| InChI | InChI=1S/C49H91O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2)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/h8,10,14,16-18,41,44-49,52-54H,3-7,9,11-13,15,19-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b10-8-,16-14-,18-17-/t41-,44-,45-,46+,47+,48+,49+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C49H91O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2)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/h8,10,14,16-18,41,44-49,52-54H,3-7,9,11-13,15,19-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b10-8-,16-14-,18-17-/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][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][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][CH2:30][CH2:28][CH2:25]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:51] |
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