| Properties | Image |
|---|
| MNX_ID | MNXM966840 |
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| reference | slm:000659225 |
| formula | C68H121NO9P |
| global charge | -1 |
| mol weight | 1127.688 |
| InChIKey | QWHMFVFDUBKINN-IBPOWOJYSA-M |
| InChI | InChI=1S/C68H122NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-48-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-47-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-44-42-40-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31-32,40,65H,4-15,18,21-23,27,30,33-39,41-64H2,1-3H3,(H,69,70)(H,73,74)/p-1/b19-16-,20-17-,26-24-,29-28-,32-31-,40-25-/t65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H122NO9P/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-48-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-47-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-44-42-40-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,28-29,31-32,40,65H,4-15,18,21-23,27,30,33-39,41-64H2,1-3H3,(H,69,70)(H,73,74)/b19-16-,20-17-,26-24-,29-28-,32-31-,40-25-/t65-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:75][CH2:63][C@H:65]([CH2:64][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:62][CH2:61][N:69]=[C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:70])[O:78][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:47][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72] |
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