| Properties | Image |
|---|
| MNX_ID | MNXM364860 |
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| reference | slm:000026168 |
| formula | C47H83O8P |
| global charge | -2 |
| mol weight | 807.147 |
| InChIKey | VEVVJQGLMFKASK-IVJFRTDOSA-L |
| InChI | InChI=1S/C47H85O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,27,32,34,45H,3-5,7,9-11,13,15-17,19-26,28-31,33,35-44H2,1-2H3,(H2,50,51,52)/p-2/b8-6-,14-12-,27-18-,34-32-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C47H85O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,27,32,34,45H,3-5,7,9-11,13,15-17,19-26,28-31,33,35-44H2,1-2H3,(H2,50,51,52)/b8-6-,14-12-,27-18-,34-32-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:48])[O:53][CH2:43][C@H:45]([CH2:44][O:54][P:56]([OH:50])([OH:51])=[O:52])[O:55][C:47]([CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:49] |
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