| Properties | Image |
|---|
| MNX_ID | MNXM180082 |
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| reference | slm:000001395 |
| formula | C56H85NO10P |
| global charge | -1 |
| mol weight | 963.267 |
| InChIKey | ONLOGRAOUSPMNL-ATVWCWSWSA-M |
| InChI | InChI=1S/C56H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,26-27,29-32,36,38,42,44,52-53H,3-4,9-10,15-16,21-22,25,28,33-35,37,39-41,43,45-51,57H2,1-2H3,(H,60,61)(H,62,63)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-,44-42-/t52-,53+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C56H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,26-27,29-32,36,38,42,44,52-53H,3-4,9-10,15-16,21-22,25,28,33-35,37,39-41,43,45-51,57H2,1-2H3,(H,60,61)(H,62,63)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-,44-42-/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:58])[O:64][CH2:49][C@H:52]([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])[O:67][C:55]([CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:29]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59] |
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