| Properties | Image |
|---|
| MNX_ID | MNXM305082 |
 |
| reference | slm:000474794 |
| formula | C48H77O13P2 |
| global charge | -3 |
| mol weight | 924.079 |
| InChIKey | OBTSLIUASYFYAJ-RCUIFPKGSA-K |
| InChI | InChI=1S/C48H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(51)61-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)43-57-47(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,45-46,49H,3-10,15-16,21,23,26,29,31-33,35,37-44H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-,46+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(51)61-46(44-60-63(55,56)59-42-45(49)41-58-62(52,53)54)43-57-47(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24-25,27-28,30,34,36,45-46,49H,3-10,15-16,21,23,26,29,31-33,35,37-44H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t45-,46+/m0/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:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][C:48](=[O:51])[O:61][C@H:46]([CH2:43][O:57][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[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] |
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