| Properties | Image |
MNX_ID | MNXM71161 |
 |
reference | slm:000048753 |
formula | C49H98NO7P |
global charge | 0 |
mol weight | 844.297 |
InChIKey | YQYWCRCOGXUGDQ-PBRQITLBSA-N |
InChI | InChI=1S/C49H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41,44,48H,6-40,42-43,45-47H2,1-5H3/b44-41-/t48-/m1/s1 |
SMILES | CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C49H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41,44,48H,6-40,42-43,45-47H2,1-5H3/b44-41-/t48-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:51])[O:57][C@H:48]([CH2:46][O:54]/[CH:44]=[CH:41]\[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:47][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:45][CH2:43][N+:50]([CH3:3])([CH3:4])[CH3:5] |
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