| Properties | Image |
|---|
| MNX_ID | MNXM316368 |
 |
| reference | slm:000455841 |
| formula | C57H91O16P2 |
| global charge | -3 |
| mol weight | 1094.287 |
| InChIKey | REOKOFFPDWWZPL-VCPNKOOLSA-K |
| InChI | InChI=1S/C57H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(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)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,49,52-57,60-63H,3-10,15-16,21-22,27-28,33-35,37,39-48H2,1-2H3,(H,67,68)(H2,64,65,66)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t49-,52+,53+,54-,55-,56-,57+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C57H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(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)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,49,52-57,60-63H,3-10,15-16,21-22,27-28,33-35,37,39-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t49-,52+,53+,54-,55-,56-,57+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH: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]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
|