| Properties | Image |
|---|
| MNX_ID | MNXM1041175 |
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| reference | slm:000733564 |
| formula | C47H91NO8P |
| global charge | -1 |
| mol weight | 829.218 |
| InChIKey | XUQXBRSZUJIZQD-NVTTVLFKSA-M |
| InChI | InChI=1S/C47H92NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(44-55-57(51,52)54-42-40-48-46(49)38-35-9-6-3)56-47(50)39-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20,22,45H,4-19,21,23-44H2,1-3H3,(H,48,49)(H,51,52)/p-1/b22-20-/t45-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H92NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(44-55-57(51,52)54-42-40-48-46(49)38-35-9-6-3)56-47(50)39-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20,22,45H,4-19,21,23-44H2,1-3H3,(H,48,49)(H,51,52)/b22-20-/t45-/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]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:41][O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:40][N:48]=[C:46]([CH2:38][CH2:35][CH2:9][CH2:6][CH3:3])[OH:49])[O:56][C:47]([CH2:39][CH2:36][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50] |
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