| Properties | Image |
|---|
| MNX_ID | MNXM356440 |
 |
| reference | slm:000476108 |
| formula | C53H95O13P2 |
| global charge | -3 |
| mol weight | 1002.278 |
| InChIKey | SCQTYGREYIGABU-CCJGFRLRSA-K |
| InChI | InChI=1S/C53H98O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-45-53(56)66-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)48-62-52(55)44-42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,50-51,54H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,60,61)(H2,57,58,59)/p-3/b13-11-,19-17-,24-23-,27-26-/t50-,51+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C53H98O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-45-53(56)66-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)48-62-52(55)44-42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,50-51,54H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,60,61)(H2,57,58,59)/b13-11-,19-17-,24-23-,27-26-/t50-,51+/m0/s1 |
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| 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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:53](=[O:56])[O:66][C@H:51]([CH2:48][O:62][C:52]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[CH2:49][O:65][P:68]([OH:60])(=[O:61])[O:64][CH2:47][C@H:50]([CH2:46][O:63][P:67]([OH:57])([OH:58])=[O:59])[OH:54] |
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