| Properties | Image |
|---|
| MNX_ID | MNXM193410 |
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| reference | slm:000432911 |
| formula | C57H97O16P2 |
| global charge | -3 |
| mol weight | 1100.335 |
| InChIKey | XSCLLMIRIYUWFY-VXLRNMSSSA-K |
| InChI | InChI=1S/C57H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-50(58)69-47-49(48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66)71-51(59)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26,28,49,52-57,60-63H,3-4,6,8-10,12,14-16,21-22,25,27,29-48H2,1-2H3,(H,67,68)(H2,64,65,66)/p-3/b7-5-,13-11-,19-17-,20-18-,24-23-,28-26-/t49-,52-,53-,54-,55-,56+,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-50(58)69-47-49(48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66)71-51(59)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26,28,49,52-57,60-63H,3-4,6,8-10,12,14-16,21-22,25,27,29-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b7-5-,13-11-,19-17-,20-18-,24-23-,28-26-/t49-,52-,53-,54-,55-,56+,57-/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:28]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:69][CH2:47][C@H:49]([CH2:48][O:70][P:75]([OH:67])(=[O:68])[O:73][C@@H:57]1[C@H:54]([OH:62])[C@H:52]([OH:60])[C@@H:53]([OH:61])[C@H:56]([O:72][P:74]([OH:64])([OH:65])=[O:66])[C@H:55]1[OH:63])[O:71][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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