| Properties | Image |
|---|
| MNX_ID | MNXM1042279 |
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| reference | slm:000734668 |
| formula | C49H93NO8P |
| global charge | -1 |
| mol weight | 855.256 |
| InChIKey | BTWMGKMGGIEGBW-UXIFSJGWSA-M |
| InChI | InChI=1S/C49H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-39-43-55-45-47(58-49(52)41-37-9-6-3)46-57-59(53,54)56-44-42-50-48(51)40-38-35-33-31-29-27-25-21-19-17-15-13-11-8-5-2/h17,19-20,22,47H,4-16,18,21,23-46H2,1-3H3,(H,50,51)(H,53,54)/p-1/b19-17-,22-20-/t47-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-39-43-55-45-47(58-49(52)41-37-9-6-3)46-57-59(53,54)56-44-42-50-48(51)40-38-35-33-31-29-27-25-21-19-17-15-13-11-8-5-2/h17,19-20,22,47H,4-16,18,21,23-46H2,1-3H3,(H,50,51)(H,53,54)/b19-17-,22-20-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:43][O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:44][CH2:42][N:50]=[C:48]([CH2:40][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:21]/[CH:19]=[CH:17]\[CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[OH:51])[O:58][C:49]([CH2:41][CH2:37][CH2:9][CH2:6][CH3:3])=[O:52] |
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