| Properties | Image |
|---|
| MNX_ID | MNXM233123 |
 |
| reference | slm:000427816 |
| formula | C53H90O19P3 |
| global charge | -5 |
| mol weight | 1124.206 |
| InChIKey | CFJCOLCESGQYQI-SGRUSGDJSA-I |
| InChI | InChI=1S/C53H95O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-31-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h10-13,16-17,19-20,22-23,45,48-53,56-58H,3-9,14-15,18,21,24-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-,48-,49-,50+,51+,52+,53+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C53H95O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-31-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h10-13,16-17,19-20,22-23,45,48-53,56-58H,3-9,14-15,18,21,24-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-,48-,49-,50+,51+,52+,53+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:67][CH2:43][C@H:45]([CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@H:51]1[C@H:48]([OH:56])[C@@H:49]([OH:57])[C@H:52]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@@H:53]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58])[O:69][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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