| Properties | Image |
|---|
| MNX_ID | MNXM961890 |
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| reference | slm:000654275 |
| formula | C63H105NO9P |
| global charge | -1 |
| mol weight | 1051.505 |
| InChIKey | OAUUOVSRKVTNDO-DKNWFSPNSA-M |
| InChI | InChI=1S/C63H106NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-12-9-6-3)58-70-62(66)54-51-48-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-29,31-32,34-35,37-38,40,60H,4-14,19-20,25-26,30,33,36,39,41-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b17-15-,18-16-,23-21-,24-22-,29-27-,31-28-,34-32-,37-35-,40-38-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H106NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-12-9-6-3)58-70-62(66)54-51-48-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-29,31-32,34-35,37-38,40,60H,4-14,19-20,25-26,30,33,36,39,41-59H2,1-3H3,(H,64,65)(H,68,69)/b17-15-,18-16-,23-21-,24-22-,29-27-,31-28-,34-32-,37-35-,40-38-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:40]\[CH2:42][CH2:44][CH2:46][CH2:49][CH2:52][CH2:55][C:63](=[O:67])[O:73][C@H:60]([CH2:58][O:70][C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65] |
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