| Properties | Image |
|---|
| MNX_ID | MNXM961245 |
 |
| reference | slm:000653630 |
| formula | C57H103NO9P |
| global charge | -1 |
| mol weight | 977.423 |
| InChIKey | LIEVUWMAPGUSON-GZYLIBLLSA-M |
| InChI | InChI=1S/C57H104NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-9-6-3)67-57(61)49-46-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,26-27,30,32,54H,4-13,15,17-19,21,23-25,28-29,31,33-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b16-14-,22-20-,27-26-,32-30-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H104NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-45-48-56(60)64-52-54(53-66-68(62,63)65-51-50-58-55(59)47-44-9-6-3)67-57(61)49-46-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-8-5-2/h14,16,20,22,26-27,30,32,54H,4-13,15,17-19,21,23-25,28-29,31,33-53H2,1-3H3,(H,58,59)(H,62,63)/b16-14-,22-20-,27-26-,32-30-/t54-/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:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][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][CH2:9][CH2:6][CH3:3])[OH:59])[O:67][C:57]([CH2:49][CH2:46][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61] |
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