| Properties | Image |
|---|
| MNX_ID | MNXM213403 |
 |
| reference | slm:000446356 |
| formula | C44H74O19P3 |
| global charge | -5 |
| mol weight | 999.979 |
| InChIKey | DHZWDOAKAOYNQU-DPIPHZBBSA-I |
| InChI | InChI=1S/C44H79O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-38(46)60-36(33-58-37(45)31-28-25-22-20-17-18-21-24-27-30-35(2)3)34-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h8-9,11-12,14-15,19,23,35-36,39-44,47-49H,4-7,10,13,16-18,20-22,24-34H2,1-3H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/p-5/b9-8-,12-11-,15-14-,23-19-/t36-,39-,40-,41-,42-,43+,44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C44H79O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-38(46)60-36(33-58-37(45)31-28-25-22-20-17-18-21-24-27-30-35(2)3)34-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h8-9,11-12,14-15,19,23,35-36,39-44,47-49H,4-7,10,13,16-18,20-22,24-34H2,1-3H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b9-8-,12-11-,15-14-,23-19-/t36-,39-,40-,41-,42-,43+,44-/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:19]=[CH:23]\[CH2:26][CH2:29][CH2:32][C:38](=[O:46])[O:60][C@H:36]([CH2:33][O:58][C:37]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])=[O:45])[CH2:34][O:59][P:66]([OH:56])(=[O:57])[O:63][C@@H:44]1[C@H:40]([OH:48])[C@H:42]([O:61][P:64]([OH:50])([OH:51])=[O:52])[C@@H:39]([OH:47])[C@H:43]([O:62][P:65]([OH:53])([OH:54])=[O:55])[C@H:41]1[OH:49] |
|