| Properties | Image |
|---|
| MNX_ID | MNXM338354 |
 |
| reference | slm:000462748 |
| formula | C47H87O16P2 |
| global charge | -3 |
| mol weight | 970.145 |
| InChIKey | CGXWFYWWHYTGKO-SAQJFKIUSA-K |
| InChI | InChI=1S/C47H90O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h10,12,39,42-47,50-53H,3-9,11,13-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b12-10-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H90O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h10,12,39,42-47,50-53H,3-9,11,13-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b12-10-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:61][C@H:39]([CH2:37][O:59][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:38][O:60][P:65]([OH:57])(=[O:58])[O:63][C@H:47]1[C@H:44]([OH:52])[C@@H:42]([OH:50])[C@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@@H:43]([OH:51])[C@H:45]1[OH:53] |
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