| Properties | Image |
|---|
| MNX_ID | MNXM235264 |
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| reference | slm:000002827 |
| formula | C56H95NO10P |
| global charge | -1 |
| mol weight | 973.347 |
| InChIKey | QJNQUIZCNUQXRV-IUTUOHIUSA-M |
| InChI | InChI=1S/C56H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-55(59)67-52(50-65-68(62,63)66-51-53(57)56(60)61)49-64-54(58)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28,30,34,36,52-53H,3-4,6,8-10,12,14-16,21-22,24,26-27,29,31-33,35,37-51,57H2,1-2H3,(H,60,61)(H,62,63)/p-1/b7-5-,13-11-,19-17-,20-18-,25-23-,30-28-,36-34-/t52-,53+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C56H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-55(59)67-52(50-65-68(62,63)66-51-53(57)56(60)61)49-64-54(58)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28,30,34,36,52-53H,3-4,6,8-10,12,14-16,21-22,24,26-27,29,31-33,35,37-51,57H2,1-2H3,(H,60,61)(H,62,63)/b7-5-,13-11-,19-17-,20-18-,25-23-,30-28-,36-34-/t52-,53+/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]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:59])[O:67][C@H:52]([CH2:49][O:64][C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[CH2:50][O:65][P:68]([OH:62])(=[O:63])[O:66][CH2:51][C@@H:53]([C:56](=[O:60])[OH:61])[NH2:57] |
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