| Properties | Image |
|---|
| MNX_ID | MNXM192169 |
 |
| reference | slm:000426398 |
| formula | C49H90O19P3 |
| global charge | -5 |
| mol weight | 1076.162 |
| InChIKey | MRUPGIRWVSEECO-DSFCHLCPSA-I |
| InChI | InChI=1S/C49H95O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)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/h14,16,41,44-49,52-54H,3-13,15,17-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b16-14+/t41-,44-,45-,46+,47+,48+,49+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H95O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)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/h14,16,41,44-49,52-54H,3-13,15,17-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b16-14+/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][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:65][C@H:41]([CH2:39][O:63][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[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] |
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