| Properties | Image |
|---|
| MNX_ID | MNXM953825 |
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| reference | slm:000646210 |
| formula | C47H85NO9P |
| global charge | -1 |
| mol weight | 839.169 |
| InChIKey | OBHXYEKKTLJRSW-BCPMNASZSA-M |
| InChI | InChI=1S/C47H86NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-25-26-28-30-32-35-38-46(50)54-42-44(43-56-58(52,53)55-41-40-48-45(49)37-34-9-6-3)57-47(51)39-36-33-31-29-27-24-19-17-15-13-11-8-5-2/h14,16,20-21,27,29,44H,4-13,15,17-19,22-26,28,30-43H2,1-3H3,(H,48,49)(H,52,53)/p-1/b16-14-,21-20-,29-27-/t44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86NO9P/c1-4-7-10-12-14-16-18-20-21-22-23-25-26-28-30-32-35-38-46(50)54-42-44(43-56-58(52,53)55-41-40-48-45(49)37-34-9-6-3)57-47(51)39-36-33-31-29-27-24-19-17-15-13-11-8-5-2/h14,16,20-21,27,29,44H,4-13,15,17-19,22-26,28,30-43H2,1-3H3,(H,48,49)(H,52,53)/b16-14-,21-20-,29-27-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][C:46](=[O:50])[O:54][CH2:42][C@H:44]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][CH2:40][N:48]=[C:45]([CH2:37][CH2:34][CH2:9][CH2:6][CH3:3])[OH:49])[O:57][C:47]([CH2:39][CH2:36][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51] |
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