| Properties | Image |
|---|
| MNX_ID | MNXM180116 |
 |
| reference | slm:000014256 |
| formula | C57H90O13P |
| global charge | -1 |
| mol weight | 1014.308 |
| InChIKey | CKSOESGMKSQWJO-DOGGQFOTSA-M |
| InChI | InChI=1S/C57H91O13P/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)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,25-26,28,30,32,34,38,40,49,52-57,60-64H,3-4,6,8-10,15-16,21,24,27,29,31,33,35-37,39,41-48H2,1-2H3,(H,65,66)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,30-28-,34-32-,40-38-/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\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H91O13P/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)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,25-26,28,30,32,34,38,40,49,52-57,60-64H,3-4,6,8-10,15-16,21,24,27,29,31,33,35-37,39,41-48H2,1-2H3,(H,65,66)/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,30-28-,34-32-,40-38-/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]/[CH:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:67][CH2:47][C@H:49]([CH2:48][O:68][P:71]([OH:65])(=[O:66])[O:70][C@@H:57]1[C@H:55]([OH:63])[C@H:53]([OH:61])[C@@H:52]([OH:60])[C@H:54]([OH:62])[C@H:56]1[OH:64])[O:69][C:51]([CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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