| Properties | Image |
|---|
| MNX_ID | MNXM1036080 |
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| reference | slm:000728469 |
| formula | C57H111NO8P |
| global charge | -1 |
| mol weight | 969.488 |
| InChIKey | YOJGRVWFCCBLHW-KTVVXTIISA-M |
| InChI | InChI=1S/C57H112NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-44-47-51-63-53-55(54-65-67(61,62)64-52-50-58-56(59)48-45-42-12-9-6-3)66-57(60)49-46-43-40-38-36-34-32-30-24-22-20-18-16-14-11-8-5-2/h22,24,55H,4-21,23,25-54H2,1-3H3,(H,58,59)(H,61,62)/p-1/b24-22-/t55-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H112NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-44-47-51-63-53-55(54-65-67(61,62)64-52-50-58-56(59)48-45-42-12-9-6-3)66-57(60)49-46-43-40-38-36-34-32-30-24-22-20-18-16-14-11-8-5-2/h22,24,55H,4-21,23,25-54H2,1-3H3,(H,58,59)(H,61,62)/b24-22-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:44][CH2:47][CH2:51][O:63][CH2:53][C@H:55]([CH2:54][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:52][CH2:50][N:58]=[C:56]([CH2:48][CH2:45][CH2:42][CH2:12][CH2:9][CH2:6][CH3:3])[OH:59])[O:66][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60] |
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