| Properties | Image |
|---|
| MNX_ID | MNXM1048060 |
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| reference | slm:000740449 |
| formula | C49H87NO8P |
| global charge | -1 |
| mol weight | 849.208 |
| InChIKey | BPKKBHFCMUSBNU-AGZCFWNYSA-M |
| InChI | InChI=1S/C49H88NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-49(53)56-45-47(51)46-58-59(54,55)57-44-43-50-48(52)41-39-37-35-10-8-6-4-2/h11-12,14-15,17-18,20-21,23-24,47,51H,3-10,13,16,19,22,25-46H2,1-2H3,(H,50,52)(H,54,55)/p-1/b12-11-,15-14-,18-17-,21-20-,24-23-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H88NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-49(53)56-45-47(51)46-58-59(54,55)57-44-43-50-48(52)41-39-37-35-10-8-6-4-2/h11-12,14-15,17-18,20-21,23-24,47,51H,3-10,13,16,19,22,25-46H2,1-2H3,(H,50,52)(H,54,55)/b12-11-,15-14-,18-17-,21-20-,24-23-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:53])[O:56][CH2:45][C@H:47]([CH2:46][O:58][P:59]([OH:54])(=[O:55])[O:57][CH2:44][CH2:43][N:50]=[C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:51] |
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