| Properties | Image |
|---|
| MNX_ID | MNXM349477 |
 |
| reference | slm:000443952 |
| formula | C49H81O22P4 |
| global charge | -7 |
| mol weight | 1146.061 |
| InChIKey | KLSSPTRMJPRKCX-ZIWSNQEASA-G |
| InChI | InChI=1S/C49H88O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43(51)67-41(39-65-42(50)37-35-33-31-29-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h11,13,15-16,18-19,21-22,24-25,41,44-49,52-53H,3-10,12,14,17,20,23,26-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/p-7/b13-11-,16-15-,19-18-,22-21-,25-24-/t41-,44+,45+,46-,47+,48-,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C49H88O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43(51)67-41(39-65-42(50)37-35-33-31-29-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h11,13,15-16,18-19,21-22,24-25,41,44-49,52-53H,3-10,12,14,17,20,23,26-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/b13-11-,16-15-,19-18-,22-21-,25-24-/t41-,44+,45+,46-,47+,48-,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:67][C@H:41]([CH2:39][O:65][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:40][O:66][P:75]([OH:63])(=[O:64])[O:71][C@@H:46]1[C@H:44]([OH:52])[C@H:47]([O:68][P:72]([OH:54])([OH:55])=[O:56])[C@@H:49]([O:70][P:74]([OH:60])([OH:61])=[O:62])[C@H:48]([O:69][P:73]([OH:57])([OH:58])=[O:59])[C@H:45]1[OH:53] |
|