| Properties | Image |
|---|
| MNX_ID | MNXM183140 |
 |
| reference | slm:000030372 |
| formula | C49H82NO8P |
| global charge | 0 |
| mol weight | 844.168 |
| InChIKey | VLUOYXNIAUYDQX-BUCRUZESSA-N |
| InChI | InChI=1S/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,36,38,47H,3-10,15-16,21-22,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-,38-36-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,30,32,36,38,47H,3-10,15-16,21-22,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-,38-36-/t47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:51])[O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:44][CH2:43][NH2:50])[O:58][C:49]([CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
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