| Properties | Image |
|---|
| MNX_ID | MNXM955550 |
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| reference | slm:000647935 |
| formula | C63H107NO9P |
| global charge | -1 |
| mol weight | 1053.521 |
| InChIKey | LJJLXDQFZADOKG-AKUOBRNRSA-M |
| InChI | InChI=1S/C63H108NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-43-46-49-52-55-63(67)73-60(58-70-62(66)54-51-48-45-42-39-37-35-24-22-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3/h7,10,16-17,19-20,23-25,27-28,30-31,35,39,42,60H,4-6,8-9,11-15,18,21-22,26,29,32-34,36-38,40-41,43-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b10-7-,19-16-,20-17-,25-23-,28-27-,31-30-,35-24-,42-39-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H108NO9P/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-43-46-49-52-55-63(67)73-60(58-70-62(66)54-51-48-45-42-39-37-35-24-22-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3/h7,10,16-17,19-20,23-25,27-28,30-31,35,39,42,60H,4-6,8-9,11-15,18,21-22,26,29,32-34,36-38,40-41,43-59H2,1-3H3,(H,64,65)(H,68,69)/b10-7-,19-16-,20-17-,25-23-,28-27-,31-30-,35-24-,42-39-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH: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][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][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]/[CH:42]=[CH:39]\[CH2:37]/[CH:35]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[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][CH2:44][CH2:41][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65] |
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