| Properties | Image |
|---|
| MNX_ID | MNXM190487 |
 |
| reference | slm:000030444 |
| formula | C57H102NO8P |
| global charge | 0 |
| mol weight | 960.416 |
| InChIKey | VHHFEEBYOILFCF-VIRAHAQRSA-N |
| InChI | InChI=1S/C57H102NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-57(60)66-55(54-65-67(61,62)64-52-51-58)53-63-56(59)49-47-45-43-41-39-37-35-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24-25,55H,3-4,6,8-10,12,15,18,20,23,26-54,58H2,1-2H3,(H,61,62)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C57H102NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-57(60)66-55(54-65-67(61,62)64-52-51-58)53-63-56(59)49-47-45-43-41-39-37-35-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24-25,55H,3-4,6,8-10,12,15,18,20,23,26-54,58H2,1-2H3,(H,61,62)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-/t55-/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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:57](=[O:60])[O:66][C@H:55]([CH2:53][O:63][C:56]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59])[CH2:54][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:52][CH2:51][NH2:58] |
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