| Properties | Image |
|---|
| MNX_ID | MNXM227127 |
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| reference | slm:000497812 |
| formula | C55H97O13P2 |
| global charge | -3 |
| mol weight | 1028.316 |
| InChIKey | WIIKCCYFTAYSEA-PMTVMJPBSA-K |
| InChI | InChI=1S/C55H100O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-54(57)64-50-53(51-67-70(62,63)66-49-52(56)48-65-69(59,60)61)68-55(58)47-45-43-41-39-37-34-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,52-53,56H,3-10,12,14-16,18,20,23,26,29-51H2,1-2H3,(H,62,63)(H2,59,60,61)/p-3/b13-11-,19-17-,22-21-,25-24-,28-27-/t52-,53+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H100O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-54(57)64-50-53(51-67-70(62,63)66-49-52(56)48-65-69(59,60)61)68-55(58)47-45-43-41-39-37-34-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,52-53,56H,3-10,12,14-16,18,20,23,26,29-51H2,1-2H3,(H,62,63)(H2,59,60,61)/b13-11-,19-17-,22-21-,25-24-,28-27-/t52-,53+/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:54](=[O:57])[O:64][CH2:50][C@H:53]([CH2:51][O:67][P:70]([OH:62])(=[O:63])[O:66][CH2:49][C@H:52]([CH2:48][O:65][P:69]([OH:59])([OH:60])=[O:61])[OH:56])[O:68][C:55]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58] |
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