| Properties | Image |
|---|
| MNX_ID | MNXM957499 |
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| reference | slm:000649884 |
| formula | C57H103NO9P |
| global charge | -1 |
| mol weight | 977.423 |
| InChIKey | QWCPAHWBZCVOGQ-FRLPOHCESA-M |
| InChI | InChI=1S/C57H104NO9P/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-56(60)64-52-54(67-57(61)49-46-43-40-37-32-21-18-15-12-9-6-3)53-66-68(62,63)65-51-50-58-55(59)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,54H,4-14,17,20-23,25,27-28,30,32-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b18-15-,19-16-,26-24-,31-29-/t54-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H104NO9P/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-56(60)64-52-54(67-57(61)49-46-43-40-37-32-21-18-15-12-9-6-3)53-66-68(62,63)65-51-50-58-55(59)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,29,31,54H,4-14,17,20-23,25,27-28,30,32-53H2,1-3H3,(H,58,59)(H,62,63)/b18-15-,19-16-,26-24-,31-29-/t54-/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:29]=[CH:31]\[CH2:34][CH2:36][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][CH2:38][CH2:35][CH2:33][CH2:30][CH2:28][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:59])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
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