| Properties | Image |
|---|
| MNX_ID | MNXM223140 |
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| reference | slm:000002469 |
| formula | C46H85NO10P |
| global charge | -1 |
| mol weight | 843.157 |
| InChIKey | XCYVUXDWUNFPEV-LHBHSAAASA-M |
| InChI | InChI=1S/C46H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,28,30,42-43H,3-16,18,20-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b19-17-,30-28-/t42-,43+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,28,30,42-43H,3-16,18,20-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-,30-28-/t42-,43+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:48])[O:54][CH2:39][C@H:42]([CH2:40][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:41][C@@H:43]([C:46](=[O:50])[OH:51])[NH2:47])[O:57][C:45]([CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:26][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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