| Properties | Image |
|---|
| MNX_ID | MNXM216486 |
 |
| reference | slm:000459244 |
| formula | C57H91O16P2 |
| global charge | -3 |
| mol weight | 1094.287 |
| InChIKey | NGLPOQHXNNRRIW-POAAXOCNSA-K |
| InChI | InChI=1S/C57H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)69-47-49(48-70-75(67,68)73-57-54(62)52(60)56(53(61)55(57)63)72-74(64,65)66)71-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-63H,3-4,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,67,68)(H2,64,65,66)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/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\CCCCCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C57H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)69-47-49(48-70-75(67,68)73-57-54(62)52(60)56(53(61)55(57)63)72-74(64,65)66)71-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-63H,3-4,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/t49-,52-,53+,54-,55-,56+,57+/m1/s1 |
 |
| 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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][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:56]([O:72][P:74]([OH:64])([OH:65])=[O:66])[C@@H:53]([OH:61])[C@H:55]1[OH:63])[O:71][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59] |
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