| Properties | Image |
|---|
| MNX_ID | MNXM954960 |
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| reference | slm:000647345 |
| formula | C57H105NO9P |
| global charge | -1 |
| mol weight | 979.439 |
| InChIKey | KYFYVBQKXFVMNY-YAVBGAENSA-M |
| InChI | InChI=1S/C57H106NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-41-12-9-6-3)67-57(61)49-46-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,54H,4-14,16,18-20,25-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b17-15-,23-21-,24-22-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H106NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-41-12-9-6-3)67-57(61)49-46-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,54H,4-14,16,18-20,25-53H2,1-3H3,(H,58,59)(H,62,63)/b17-15-,23-21-,24-22-/t54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][C:56](=[O:60])[O:64][CH2:52][C@H:54]([CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][CH2:50][N:58]=[C:55]([CH2:47][CH2:44][CH2:41][CH2:12][CH2:9][CH2:6][CH3:3])[OH:59])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61] |
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