| Properties | Image |
|---|
| MNX_ID | MNXM344151 |
 |
| reference | slm:000475760 |
| formula | C28H47O13P2 |
| global charge | -3 |
| mol weight | 653.619 |
| InChIKey | NTFLFHUIAWJBDH-UBSGXGCLSA-K |
| InChI | InChI=1S/C28H50O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28(31)41-26(23-37-27(30)19-4-2)24-40-43(35,36)39-22-25(29)21-38-42(32,33)34/h5-6,8-9,11-12,25-26,29H,3-4,7,10,13-24H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/b6-5-,9-8-,12-11-/t25-,26+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H50O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28(31)41-26(23-37-27(30)19-4-2)24-40-43(35,36)39-22-25(29)21-38-42(32,33)34/h5-6,8-9,11-12,25-26,29H,3-4,7,10,13-24H2,1-2H3,(H,35,36)(H2,32,33,34)/b6-5-,9-8-,12-11-/t25-,26+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:28](=[O:31])[O:41][C@H:26]([CH2:23][O:37][C:27]([CH2:19][CH2:4][CH3:2])=[O:30])[CH2:24][O:40][P:43]([OH:35])(=[O:36])[O:39][CH2:22][C@H:25]([CH2:21][O:38][P:42]([OH:32])([OH:33])=[O:34])[OH:29] |
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