| Properties | Image |
MNX_ID | MNXM3452 |
 |
reference | biggM:2agpg141 |
formula | C20H38O9P |
global charge | -1 |
mol weight | 453.489 |
InChIKey | JPZRBXGDTBKBHT-UHFFFAOYSA-M |
InChI | InChI=1S/C20H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h7-8,18-19,21-23H,2-6,9-17H2,1H3,(H,25,26)/p-1 |
SMILES | CCCCCCC=CCCCCCC(=O)OCC(O)COP(=O)([O-])OCC(O)CO |
MNX internals
InChI (mnx) | InChI=1/C20H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h7-8,18-19,21-23H,2-6,9-17H2,1H3,(H,25,26)/b8-7?/t18?,19? |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:20](=[O:24])[O:27][CH2:15][CH:19]([CH2:17][O:29][P:30]([OH:25])(=[O:26])[O:28][CH2:16][CH:18]([CH2:14][OH:21])[OH:22])[OH:23] |
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