| Properties | Image |
|---|
| MNX_ID | MNXM229257 |
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| reference | slm:000022323 |
| formula | C46H77O8P |
| global charge | -2 |
| mol weight | 789.088 |
| InChIKey | HRSPFZUNXJGEGX-SGGZLSIGSA-L |
| InChI | InChI=1S/C46H79O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-46(48)54-44(42-53-55(49,50)51)41-52-45(47)39-36-33-30-27-25-22-23-26-29-32-35-38-43(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,43-44H,4,7,10,13,16,19,22-42H2,1-3H3,(H2,49,50,51)/p-2/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C46H79O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-46(48)54-44(42-53-55(49,50)51)41-52-45(47)39-36-33-30-27-25-22-23-26-29-32-35-38-43(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,43-44H,4,7,10,13,16,19,22-42H2,1-3H3,(H2,49,50,51)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:48])[O:54][C@H:44]([CH2:41][O:52][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:43]([CH3:2])[CH3:3])=[O:47])[CH2:42][O:53][P:55]([OH:49])([OH:50])=[O:51] |
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