| Properties | Image |
|---|
| MNX_ID | MNXM219302 |
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| reference | slm:000472187 |
| formula | C48H79O13P2 |
| global charge | -3 |
| mol weight | 926.095 |
| InChIKey | KFYXHCDYZRNYIZ-XQFNNNDESA-K |
| InChI | InChI=1S/C48H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(50)57-43-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)61-48(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,45-46,49H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-44H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-,46+/m0/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-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(50)57-43-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)61-48(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,45-46,49H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-44H2,1-2H3,(H,55,56)(H2,52,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-,46+/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][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:47](=[O:50])[O:57][CH2:43][C@H:46]([CH2:44][O:60][P:63]([OH:55])(=[O:56])[O:59][CH2:42][C@H:45]([CH2:41][O:58][P:62]([OH:52])([OH:53])=[O:54])[OH:49])[O:61][C:48]([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:51] |
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