| Properties | Image |
|---|
| MNX_ID | MNXM1029950 |
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| reference | slm:000722339 |
| formula | C57H105NO8P |
| global charge | -1 |
| mol weight | 963.44 |
| InChIKey | NHUHYPVQDPVYGZ-LMILFRDISA-M |
| InChI | InChI=1S/C57H106NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-34-37-40-43-46-49-57(60)66-55(53-63-51-47-44-41-38-35-33-24-22-20-17-14-11-8-5-2)54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-36-18-15-12-9-6-3/h16,19,23,25,27-28,30-31,55H,4-15,17-18,20-22,24,26,29,32-54H2,1-3H3,(H,58,59)(H,61,62)/p-1/b19-16-,25-23-,28-27-,31-30-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H106NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-34-37-40-43-46-49-57(60)66-55(53-63-51-47-44-41-38-35-33-24-22-20-17-14-11-8-5-2)54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-36-18-15-12-9-6-3/h16,19,23,25,27-28,30-31,55H,4-15,17-18,20-22,24,26,29,32-54H2,1-3H3,(H,58,59)(H,61,62)/b19-16-,25-23-,28-27-,31-30-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:57](=[O:60])[O:66][C@H:55]([CH2:53][O:63][CH2:51][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[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][CH2:39][CH2:36][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:59] |
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