| Properties | Image |
|---|
| MNX_ID | MNXM211860 |
 |
| reference | slm:000008778 |
| formula | C57H104NO8P |
| global charge | 0 |
| mol weight | 962.432 |
| InChIKey | XYOMYESPEQMLTD-AVRUGWKNSA-N |
| InChI | InChI=1S/C57H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-56(59)63-53-55(54-65-67(61,62)64-52-51-58(3,4)5)66-57(60)50-48-46-44-42-40-38-35-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,28-29,31-32,55H,6-13,15,17-19,21,23-24,27,30,33-54H2,1-5H3/b16-14-,22-20-,26-25-,29-28-,32-31-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-56(59)63-53-55(54-65-67(61,62)64-52-51-58(3,4)5)66-57(60)50-48-46-44-42-40-38-35-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,28-29,31-32,55H,6-13,15,17-19,21,23-24,27,30,33-54H2,1-5H3/b16-14-,22-20-,26-25-,29-28-,32-31-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:59])[O:63][CH2:53][C@H:55]([CH2:54][O:65][P:67](=[O:61])([O-:62])[O:64][CH2:52][CH2:51][N+:58]([CH3:3])([CH3:4])[CH3:5])[O:66][C:57]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:35][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:60] |
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