| Properties | Image |
|---|
| MNX_ID | MNXM181292 |
 |
| reference | slm:000001469 |
| formula | C54H87NO10P |
| global charge | -1 |
| mol weight | 941.261 |
| InChIKey | XJAJHOUOFNWYIY-XUWJHTLPSA-M |
| InChI | InChI=1S/C54H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,28,30,32,34,38,40,50-51H,3-10,15-16,21,24,27,29,31,33,35-37,39,41-49,55H2,1-2H3,(H,58,59)(H,60,61)/p-1/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,30-28-,34-32-,40-38-/t50-,51+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-52(56)62-47-50(48-63-66(60,61)64-49-51(55)54(58)59)65-53(57)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,28,30,32,34,38,40,50-51H,3-10,15-16,21,24,27,29,31,33,35-37,39,41-49,55H2,1-2H3,(H,58,59)(H,60,61)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,30-28-,34-32-,40-38-/t50-,51+/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:52](=[O:56])[O:62][CH2:47][C@H:50]([CH2:48][O:63][P:66]([OH:60])(=[O:61])[O:64][CH2:49][C@@H:51]([C:54](=[O:58])[OH:59])[NH2:55])[O:65][C:53]([CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
|