| Properties | Image |
|---|
| MNX_ID | MNXM342908 |
 |
| reference | slm:000475681 |
| formula | C26H43O13P2 |
| global charge | -3 |
| mol weight | 625.565 |
| InChIKey | MCVHGRMCFQLGPS-ZVUUKNMNSA-K |
| InChI | InChI=1S/C26H46O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)39-25(21-35-23(2)27)22-38-41(33,34)37-20-24(28)19-36-40(30,31)32/h4-5,7-8,10-11,24-25,28H,3,6,9,12-22H2,1-2H3,(H,33,34)(H2,30,31,32)/p-3/b5-4-,8-7-,11-10-/t24-,25+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C26H46O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)39-25(21-35-23(2)27)22-38-41(33,34)37-20-24(28)19-36-40(30,31)32/h4-5,7-8,10-11,24-25,28H,3,6,9,12-22H2,1-2H3,(H,33,34)(H2,30,31,32)/b5-4-,8-7-,11-10-/t24-,25+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:26](=[O:29])[O:39][C@H:25]([CH2:21][O:35][C:23]([CH3:2])=[O:27])[CH2:22][O:38][P:41]([OH:33])(=[O:34])[O:37][CH2:20][C@H:24]([CH2:19][O:36][P:40]([OH:30])([OH:31])=[O:32])[OH:28] |
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