| Properties | Image |
MNX_ID | MNXM276469 |
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reference | slm:000039715 |
formula | C32H52O10P |
global charge | -1 |
mol weight | 627.732 |
InChIKey | MIXHEVAQGSICKW-OYOUEJLQSA-M |
InChI | InChI=1S/C32H53O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(36)39-27-31(42-29(2)34)28-41-43(37,38)40-26-30(35)25-33/h7-8,10-11,13-14,16-17,19-20,30-31,33,35H,3-6,9,12,15,18,21-28H2,1-2H3,(H,37,38)/p-1/b8-7-,11-10-,14-13-,17-16-,20-19-/t30-,31+/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(C)=O |
MNX internals
InChI (mnx) | InChI=1/C32H53O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(36)39-27-31(42-29(2)34)28-41-43(37,38)40-26-30(35)25-33/h7-8,10-11,13-14,16-17,19-20,30-31,33,35H,3-6,9,12,15,18,21-28H2,1-2H3,(H,37,38)/b8-7-,11-10-,14-13-,17-16-,20-19-/t30-,31+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][C:32](=[O:36])[O:39][CH2:27][C@H:31]([CH2:28][O:41][P:43]([OH:37])(=[O:38])[O:40][CH2:26][C@H:30]([CH2:25][OH:33])[OH:35])[O:42][C:29]([CH3:2])=[O:34] |
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