| Properties | Image |
|---|
| MNX_ID | MNXM235917 |
 |
| reference | slm:000016015 |
| formula | C47H86O13P |
| global charge | -1 |
| mol weight | 890.166 |
| InChIKey | IIAVSWPGVZWPLB-ANCZGQRHSA-M |
| InChI | InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(48)57-37-39(59-41(49)36-34-32-30-28-25-14-12-10-8-6-4-2)38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54/h10,12,16-17,39,42-47,50-54H,3-9,11,13-15,18-38H2,1-2H3,(H,55,56)/p-1/b12-10-,17-16-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H87O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(48)57-37-39(59-41(49)36-34-32-30-28-25-14-12-10-8-6-4-2)38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54/h10,12,16-17,39,42-47,50-54H,3-9,11,13-15,18-38H2,1-2H3,(H,55,56)/b12-10-,17-16-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:57][CH2:37][C@H:39]([CH2:38][O:58][P:61]([OH:55])(=[O:56])[O:60][C@@H:47]1[C@H:45]([OH:53])[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:44]([OH:52])[C@H:46]1[OH:54])[O:59][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
|