| Properties | Image |
|---|
| MNX_ID | MNXM217700 |
 |
| reference | slm:000031415 |
| formula | C57H96NO8P |
| global charge | 0 |
| mol weight | 954.368 |
| InChIKey | PDQJGDRWTLFQOC-VKSWFCMKSA-N |
| InChI | InChI=1S/C57H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-56(59)63-53-55(54-65-67(61,62)64-52-51-58)66-57(60)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-25,27-29,34,36,55H,3-5,7,9-10,15-16,21-22,26,30-33,35,37-54,58H2,1-2H3,(H,61,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C57H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-56(59)63-53-55(54-65-67(61,62)64-52-51-58)66-57(60)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-25,27-29,34,36,55H,3-5,7,9-10,15-16,21-22,26,30-33,35,37-54,58H2,1-2H3,(H,61,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-/t55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:59])[O:63][CH2:53][C@H:55]([CH2:54][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:52][CH2:51][NH2:58])[O:66][C:57]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:60] |
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