| Properties | Image |
|---|
| MNX_ID | MNXM223707 |
 |
| reference | slm:000009157 |
| formula | C46H86NO8P |
| global charge | 0 |
| mol weight | 812.167 |
| InChIKey | JXKRASJCNMNOFG-VPFDWGPCSA-N |
| InChI | InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h11,13,17,19-21,44H,6-10,12,14-16,18,22-43H2,1-5H3/b13-11-,19-17-,21-20-/t44-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h11,13,17,19-21,44H,6-10,12,14-16,18,22-43H2,1-5H3/b13-11-,19-17-,21-20-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:45](=[O:48])[O:52][CH2:42][C@H:44]([CH2:43][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:41][CH2:40][N+:47]([CH3:3])([CH3:4])[CH3:5])[O:55][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])=[O:49] |
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