| Properties | Image |
|---|
| MNX_ID | MNXM1037783 |
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| reference | slm:000730172 |
| formula | C69H123NO8P |
| global charge | -1 |
| mol weight | 1125.716 |
| InChIKey | GKMXJRFBHRLYDM-GRWAWFORSA-M |
| InChI | InChI=1S/C69H124NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-41-44-47-50-53-56-59-63-75-65-67(78-69(72)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,39-40,45-46,48-49,67H,4-8,10-11,13-16,19,22-25,28-38,41-44,47,50-66H2,1-3H3,(H,70,71)(H,73,74)/p-1/b12-9-,20-17-,21-18-,39-26-,40-27-,48-45-,49-46-/t67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H124NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-41-44-47-50-53-56-59-63-75-65-67(78-69(72)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,39-40,45-46,48-49,67H,4-8,10-11,13-16,19,22-25,28-38,41-44,47,50-66H2,1-3H3,(H,70,71)(H,73,74)/b12-9-,20-17-,21-18-,39-26-,40-27-,48-45-,49-46-/t67-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:63][O:75][CH2:65][C@H:67]([CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:62][N:70]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:71])[O:78][C:69]([CH2:61][CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:40]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:72] |
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