| Properties | Image |
|---|
| MNX_ID | MNXM227257 |
 |
| reference | slm:000494377 |
| formula | C44H72O19P3 |
| global charge | -5 |
| mol weight | 997.963 |
| InChIKey | RHZWCFQPGQYZKI-GUSJNWCLSA-I |
| InChI | InChI=1S/C44H77O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-38(46)58-34-36(60-37(45)4-2)35-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h8-9,11-12,14-15,17-18,20-21,36,39-44,47-49H,3-7,10,13,16,19,22-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/p-5/b9-8-,12-11-,15-14-,18-17-,21-20-/t36-,39-,40-,41-,42-,43+,44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C44H77O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-38(46)58-34-36(60-37(45)4-2)35-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h8-9,11-12,14-15,17-18,20-21,36,39-44,47-49H,3-7,10,13,16,19,22-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b9-8-,12-11-,15-14-,18-17-,21-20-/t36-,39-,40-,41-,42-,43+,44-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][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:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][C:38](=[O:46])[O:58][CH2:34][C@H:36]([CH2:35][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])[O:60][C:37]([CH2:4][CH3:2])=[O:45] |
|