| Properties | Image |
MNX_ID | MNXM215437 |
 |
reference | slm:000471989 |
formula | C24H45O13P2 |
global charge | -3 |
mol weight | 603.559 |
InChIKey | UUWYDFYEIJIEEO-FCHUYYIVSA-K |
InChI | InChI=1S/C24H48O13P2/c1-4-23(26)37-22(19-36-39(31,32)35-17-21(25)16-34-38(28,29)30)18-33-24(27)15-13-11-9-7-5-6-8-10-12-14-20(2)3/h20-22,25H,4-19H2,1-3H3,(H,31,32)(H2,28,29,30)/p-3/t21-,22+/m0/s1 |
SMILES | CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
InChI (mnx) | InChI=1/C24H48O13P2/c1-4-23(26)37-22(19-36-39(31,32)35-17-21(25)16-34-38(28,29)30)18-33-24(27)15-13-11-9-7-5-6-8-10-12-14-20(2)3/h20-22,25H,4-19H2,1-3H3,(H,31,32)(H2,28,29,30)/t21-,22+/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][C:23](=[O:26])[O:37][C@H:22]([CH2:18][O:33][C:24]([CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH:20]([CH3:2])[CH3:3])=[O:27])[CH2:19][O:36][P:39]([OH:31])(=[O:32])[O:35][CH2:17][C@H:21]([CH2:16][O:34][P:38]([OH:28])([OH:29])=[O:30])[OH:25] |
|