| Properties | Image |
|---|
| MNX_ID | MNXM290515 |
 |
| reference | slm:000017676 |
| formula | C31H56O13P |
| global charge | -1 |
| mol weight | 667.75 |
| InChIKey | CGOBUSHNZKDTAL-LKMRENQHSA-M |
| InChI | InChI=1S/C31H57O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)41-21-23(43-25(33)19-4-2)22-42-45(39,40)44-31-29(37)27(35)26(34)28(36)30(31)38/h14-15,23,26-31,34-38H,3-13,16-22H2,1-2H3,(H,39,40)/p-1/b15-14-/t23-,26-,27-,28+,29-,30-,31-/m1/s1 |
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C31H57O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)41-21-23(43-25(33)19-4-2)22-42-45(39,40)44-31-29(37)27(35)26(34)28(36)30(31)38/h14-15,23,26-31,34-38H,3-13,16-22H2,1-2H3,(H,39,40)/b15-14-/t23-,26-,27-,28+,29-,30-,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:20][C:24](=[O:32])[O:41][CH2:21][C@H:23]([CH2:22][O:42][P:45]([OH:39])(=[O:40])[O:44][C@@H:31]1[C@H:29]([OH:37])[C@H:27]([OH:35])[C@@H:26]([OH:34])[C@H:28]([OH:36])[C@H:30]1[OH:38])[O:43][C:25]([CH2:19][CH2:4][CH3:2])=[O:33] |
|