| Properties | Image |
MNX_ID | MNXM323710 |
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reference | slm:000012072 |
formula | C46H80NO8P |
global charge | 0 |
mol weight | 806.119 |
InChIKey | GPEPYBVEIRFESY-UFHUFIJQSA-N |
InChI | InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h11,13-14,16-17,19-21,23-24,27,29,44H,6-10,12,15,18,22,25-26,28,30-43H2,1-5H3/b13-11-,16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h11,13-14,16-17,19-21,23-24,27,29,44H,6-10,12,15,18,22,25-26,28,30-43H2,1-5H3/b13-11-,16-14-,19-17-,21-20-,24-23-,29-27-/t44-/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:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:55][C@H:44]([CH2:42][O:52][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])=[O:48])[CH2:43][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:41][CH2:40][N+:47]([CH3:3])([CH3:4])[CH3:5] |
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