| Properties | Image |
|---|
| MNX_ID | MNXM1036780 |
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| reference | slm:000729169 |
| formula | C63H113NO8P |
| global charge | -1 |
| mol weight | 1043.57 |
| InChIKey | KNJFZOIAGJPOSS-DBLQIFDMSA-M |
| InChI | InChI=1S/C63H114NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-33-35-37-39-41-43-45-47-50-53-57-69-59-61(60-71-73(67,68)70-58-56-64-62(65)54-51-48-12-9-6-3)72-63(66)55-52-49-46-44-42-40-38-36-34-32-28-26-24-22-20-18-16-14-11-8-5-2/h8,11,16,18,22,24,28,32,36,38,42,44,61H,4-7,9-10,12-15,17,19-21,23,25-27,29-31,33-35,37,39-41,43,45-60H2,1-3H3,(H,64,65)(H,67,68)/p-1/b11-8-,18-16-,24-22-,32-28-,38-36-,44-42-/t61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H114NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-33-35-37-39-41-43-45-47-50-53-57-69-59-61(60-71-73(67,68)70-58-56-64-62(65)54-51-48-12-9-6-3)72-63(66)55-52-49-46-44-42-40-38-36-34-32-28-26-24-22-20-18-16-14-11-8-5-2/h8,11,16,18,22,24,28,32,36,38,42,44,61H,4-7,9-10,12-15,17,19-21,23,25-27,29-31,33-35,37,39-41,43,45-60H2,1-3H3,(H,64,65)(H,67,68)/b11-8-,18-16-,24-22-,32-28-,38-36-,44-42-/t61-/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][CH2:27][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:50][CH2:53][CH2:57][O:69][CH2:59][C@H:61]([CH2:60][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:58][CH2:56][N:64]=[C:62]([CH2:54][CH2:51][CH2:48][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:72][C:63]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66] |
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