| Properties | Image |
|---|
| MNX_ID | MNXM965683 |
 |
| reference | slm:000658068 |
| formula | C58H105NO9P |
| global charge | -1 |
| mol weight | 991.45 |
| InChIKey | FDEGXQFGSOQZJD-XFSKEYIDSA-M |
| InChI | InChI=1S/C58H106NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-46-49-57(61)65-53-55(54-67-69(63,64)66-52-51-59-56(60)48-45-9-6-3)68-58(62)50-47-44-42-40-38-35-21-19-17-15-13-11-8-5-2/h14,16,20,22,24-25,27-28,55H,4-13,15,17-19,21,23,26,29-54H2,1-3H3,(H,59,60)(H,63,64)/p-1/b16-14-,22-20-,25-24-,28-27-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H106NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-46-49-57(61)65-53-55(54-67-69(63,64)66-52-51-59-56(60)48-45-9-6-3)68-58(62)50-47-44-42-40-38-35-21-19-17-15-13-11-8-5-2/h14,16,20,22,24-25,27-28,55H,4-13,15,17-19,21,23,26,29-54H2,1-3H3,(H,59,60)(H,63,64)/b16-14-,22-20-,25-24-,28-27-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][C:57](=[O:61])[O:65][CH2:53][C@H:55]([CH2:54][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:52][CH2:51][N:59]=[C:56]([CH2:48][CH2:45][CH2:9][CH2:6][CH3:3])[OH:60])[O:68][C:58]([CH2:50][CH2:47][CH2:44][CH2:42][CH2:40][CH2:38][CH2:35][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62] |
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