| Properties | Image |
MNX_ID | MNXM192088 |
 |
reference | slm:000036872 |
formula | C28H52O10P |
global charge | -1 |
mol weight | 579.688 |
InChIKey | FIGAZOOOJHXIFL-MCUHSVEGSA-M |
InChI | InChI=1S/C28H53O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)35-23-26(38-28(32)19-4-2)24-37-39(33,34)36-22-25(30)21-29/h9-10,25-26,29-30H,3-8,11-24H2,1-2H3,(H,33,34)/p-1/b10-9+/t25-,26+/m0/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCC |
MNX internals
InChI (mnx) | InChI=1/C28H53O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)35-23-26(38-28(32)19-4-2)24-37-39(33,34)36-22-25(30)21-29/h9-10,25-26,29-30H,3-8,11-24H2,1-2H3,(H,33,34)/b10-9+/t25-,26+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:27](=[O:31])[O:35][CH2:23][C@H:26]([CH2:24][O:37][P:39]([OH:33])(=[O:34])[O:36][CH2:22][C@H:25]([CH2:21][OH:29])[OH:30])[O:38][C:28]([CH2:19][CH2:4][CH3:2])=[O:32] |
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