| Properties | Image |
|---|
| MNX_ID | MNXM1039922 |
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| reference | slm:000732311 |
| formula | C47H85NO8P |
| global charge | -1 |
| mol weight | 823.17 |
| InChIKey | SPGFWVZRJVAJNY-ZMNGMGPNSA-M |
| InChI | InChI=1S/C47H86NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(56-47(50)39-35-9-6-3)44-55-57(51,52)54-42-40-48-46(49)38-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,15-18,21,23,45H,4-7,9-10,12-14,19-20,22,24-44H2,1-3H3,(H,48,49)(H,51,52)/p-1/b11-8-,17-15-,18-16-,23-21-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(56-47(50)39-35-9-6-3)44-55-57(51,52)54-42-40-48-46(49)38-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,15-18,21,23,45H,4-7,9-10,12-14,19-20,22,24-44H2,1-3H3,(H,48,49)(H,51,52)/b11-8-,17-15-,18-16-,23-21-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:41][O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:40][N:48]=[C:46]([CH2:38][CH2:36][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:49])[O:56][C:47]([CH2:39][CH2:35][CH2:9][CH2:6][CH3:3])=[O:50] |
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