| Properties | Image |
|---|
| MNX_ID | MNXM213533 |
 |
| reference | slm:000465554 |
| formula | C48H80O19P3 |
| global charge | -5 |
| mol weight | 1054.071 |
| InChIKey | JVTXKROIWWVKHS-BWAUXHMUSA-I |
| InChI | InChI=1S/C48H85O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(50)64-40(37-62-41(49)35-32-29-26-24-21-22-25-28-31-34-39(2)3)38-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h8-9,11-12,14-15,17-18,20,23,39-40,43-48,51-53H,4-7,10,13,16,19,21-22,24-38H2,1-3H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/p-5/b9-8-,12-11-,15-14-,18-17-,23-20-/t40-,43-,44+,45+,46-,47-,48-/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)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H85O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(50)64-40(37-62-41(49)35-32-29-26-24-21-22-25-28-31-34-39(2)3)38-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h8-9,11-12,14-15,17-18,20,23,39-40,43-48,51-53H,4-7,10,13,16,19,21-22,24-38H2,1-3H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-,23-20-/t40-,43-,44+,45+,46-,47-,48-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:23]\[CH2:27][CH2:30][CH2:33][CH2:36][C:42](=[O:50])[O:64][C@H:40]([CH2:37][O:62][C:41]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])=[O:49])[CH2:38][O:63][P:70]([OH:60])(=[O:61])[O:67][C@@H:46]1[C@H:43]([OH:51])[C@H:44]([OH:52])[C@@H:47]([O:65][P:68]([OH:54])([OH:55])=[O:56])[C@H:48]([O:66][P:69]([OH:57])([OH:58])=[O:59])[C@H:45]1[OH:53] |
|