| Properties | Image |
|---|
| MNX_ID | MNXM232826 |
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| reference | slm:000472583 |
| formula | C56H93O13P2 |
| global charge | -3 |
| mol weight | 1036.295 |
| InChIKey | LSIZAGAPLLQBKB-LSQVLJPVSA-K |
| InChI | InChI=1S/C56H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-55(58)65-51-54(52-68-71(63,64)67-50-53(57)49-66-70(60,61)62)69-56(59)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,34,36,40,42,53-54,57H,3-10,15-16,21,24,27-33,35,37-39,41,43-52H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,36-34-,42-40-/t53-,54+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-55(58)65-51-54(52-68-71(63,64)67-50-53(57)49-66-70(60,61)62)69-56(59)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,25-26,34,36,40,42,53-54,57H,3-10,15-16,21,24,27-33,35,37-39,41,43-52H2,1-2H3,(H,63,64)(H2,60,61,62)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,36-34-,42-40-/t53-,54+/m0/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]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:55](=[O:58])[O:65][CH2:51][C@H:54]([CH2:52][O:68][P:71]([OH:63])(=[O:64])[O:67][CH2:50][C@H:53]([CH2:49][O:66][P:70]([OH:60])([OH:61])=[O:62])[OH:57])[O:69][C:56]([CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:31]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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