| Properties | Image |
|---|
| MNX_ID | MNXM219306 |
 |
| reference | slm:000446592 |
| formula | C51H82O19P3 |
| global charge | -5 |
| mol weight | 1092.12 |
| InChIKey | RCRXDOAHISTKNE-XFBXTEENSA-I |
| InChI | InChI=1S/C51H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)65-41-43(67-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2)42-66-73(63,64)70-51-47(55)49(68-71(57,58)59)46(54)50(48(51)56)69-72(60,61)62/h6,8,11-14,17-20,26,28,32,34,43,46-51,54-56H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)65-41-43(67-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2)42-66-73(63,64)70-51-47(55)49(68-71(57,58)59)46(54)50(48(51)56)69-72(60,61)62/h6,8,11-14,17-20,26,28,32,34,43,46-51,54-56H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-,46-,47-,48-,49-,50+,51-/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][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:65][CH2:41][C@H:43]([CH2:42][O:66][P:73]([OH:63])(=[O:64])[O:70][C@@H:51]1[C@H:47]([OH:55])[C@H:49]([O:68][P:71]([OH:57])([OH:58])=[O:59])[C@@H:46]([OH:54])[C@H:50]([O:69][P:72]([OH:60])([OH:61])=[O:62])[C@H:48]1[OH:56])[O:67][C:45]([CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:53] |
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