| Properties | Image |
|---|
| MNX_ID | MNXM306141 |
 |
| reference | slm:000436426 |
| formula | C45H77O16P2 |
| global charge | -3 |
| mol weight | 936.043 |
| InChIKey | ZCVDUKDWGHFWPN-NMQHKBBCSA-K |
| InChI | InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13-14,16-18,20,22,37,40-45,48-51H,3-10,12,15,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b13-11-,16-14-,18-17-,22-20-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13-14,16-18,20,22,37,40-45,48-51H,3-10,12,15,19,21,23-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,16-14-,18-17-,22-20-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:57][CH2:35][C@H:37]([CH2:36][O:58][P:63]([OH:55])(=[O:56])[O:61][C@@H:45]1[C@H:42]([OH:50])[C@H:40]([OH:48])[C@@H:41]([OH:49])[C@H:44]([O:60][P:62]([OH:52])([OH:53])=[O:54])[C@H:43]1[OH:51])[O:59][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
|