| Properties | Image |
|---|
| MNX_ID | MNXM353180 |
 |
| reference | slm:000476035 |
| formula | C56H99O13P2 |
| global charge | -3 |
| mol weight | 1042.343 |
| InChIKey | RHAINVFKWHKPMI-NZRCJCNDSA-K |
| InChI | InChI=1S/C56H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-56(59)69-54(52-68-71(63,64)67-50-53(57)49-66-70(60,61)62)51-65-55(58)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,28-29,53-54,57H,3-10,12,14-16,18,20-21,24,27,30-52H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b13-11-,19-17-,23-22-,26-25-,29-28-/t53-,54+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C56H102O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-56(59)69-54(52-68-71(63,64)67-50-53(57)49-66-70(60,61)62)51-65-55(58)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25-26,28-29,53-54,57H,3-10,12,14-16,18,20-21,24,27,30-52H2,1-2H3,(H,63,64)(H2,60,61,62)/b13-11-,19-17-,23-22-,26-25-,29-28-/t53-,54+/m0/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:29]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:56](=[O:59])[O:69][C@H:54]([CH2:51][O:65][C:55]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[CH2:52][O:68][P:71]([OH:63])(=[O:64])[O:67][CH2:50][C@H:53]([CH2:49][O:66][P:70]([OH:60])([OH:61])=[O:62])[OH:57] |
|