| Properties | Image |
|---|
| MNX_ID | MNXM190513 |
 |
| reference | slm:000490223 |
| formula | C62H109NO10P |
| global charge | -1 |
| mol weight | 1059.525 |
| InChIKey | PUQYXPZOBKNPAA-USWNNPLWSA-M |
| InChI | InChI=1S/C62H110NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-61(65)73-58(56-71-74(68,69)72-57-59(63)62(66)67)55-70-60(64)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24-25,27-28,58-59H,3-10,12,15,18,20,23,26,29-57,63H2,1-2H3,(H,66,67)(H,68,69)/p-1/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t58-,59+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C62H110NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-61(65)73-58(56-71-74(68,69)72-57-59(63)62(66)67)55-70-60(64)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24-25,27-28,58-59H,3-10,12,15,18,20,23,26,29-57,63H2,1-2H3,(H,66,67)(H,68,69)/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t58-,59+/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]\[CH2:20]/[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][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:61](=[O:65])[O:73][C@H:58]([CH2:55][O:70][C:60]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:56][O:71][P:74]([OH:68])(=[O:69])[O:72][CH2:57][C@@H:59]([C:62](=[O:66])[OH:67])[NH2:63] |
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