| Properties | Image |
|---|
| MNX_ID | MNXM299937 |
 |
| reference | slm:000024524 |
| formula | C49H75O8P |
| global charge | -2 |
| mol weight | 823.105 |
| InChIKey | LDFLGQRNARCKFC-SDBHDPSHSA-L |
| InChI | InChI=1S/C49H77O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22-23,25-26,29-32,36,38,47H,3-5,7,9-10,15-16,21,24,27-28,33-35,37,39-46H2,1-2H3,(H2,52,53,54)/p-2/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,31-29-,32-30-,38-36-/t47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C49H77O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22-23,25-26,29-32,36,38,47H,3-5,7,9-10,15-16,21,24,27-28,33-35,37,39-46H2,1-2H3,(H2,52,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,31-29-,32-30-,38-36-/t47-/m1/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:50])[O:55][CH2:45][C@H:47]([CH2:46][O:56][P:58]([OH:52])([OH:53])=[O:54])[O:57][C:49]([CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:27]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:51] |
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