| Properties | Image |
|---|
| MNX_ID | MNXM217798 |
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| reference | slm:000031422 |
| formula | C47H84NO8P |
| global charge | 0 |
| mol weight | 822.162 |
| InChIKey | VOAQTNMBKKGAMN-BTKAFTNUSA-N |
| InChI | InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-29-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,45H,3-9,14-15,18,21,24-44,48H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C47H84NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-29-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,45H,3-9,14-15,18,21,24-44,48H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:41][NH2:48])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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