| Properties | Image |
|---|
| MNX_ID | MNXM1047427 |
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| reference | slm:000739816 |
| formula | C55H93NO8P |
| global charge | -1 |
| mol weight | 927.322 |
| InChIKey | PTGSFRBUKOBZOP-XWPSMJDHSA-M |
| InChI | InChI=1S/C55H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-55(59)62-51-53(57)52-64-65(60,61)63-50-49-56-54(58)47-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,33,53,57H,3-4,6,8-10,15-16,20,23,26,29-32,34-52H2,1-2H3,(H,56,58)(H,60,61)/p-1/b7-5-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,33-18-/t53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-55(59)62-51-53(57)52-64-65(60,61)63-50-49-56-54(58)47-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24-25,27-28,33,53,57H,3-4,6,8-10,15-16,20,23,26,29-32,34-52H2,1-2H3,(H,56,58)(H,60,61)/b7-5-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,33-18-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:59])[O:62][CH2:51][C@H:53]([CH2:52][O:64][P:65]([OH:60])(=[O:61])[O:63][CH2:50][CH2:49][N:56]=[C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:58])[OH:57] |
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