| Properties | Image |
|---|
| MNX_ID | MNXM953850 |
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| reference | slm:000646235 |
| formula | C63H109NO9P |
| global charge | -1 |
| mol weight | 1055.537 |
| InChIKey | RJQDSJLJMAZHNU-IDSZJXALSA-M |
| InChI | InChI=1S/C63H110NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-61(65)64-56-57-71-74(68,69)72-59-60(73-63(67)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)58-70-62(66)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40-41,43-44,60H,4-15,18,21-24,27,30-32,34,36-39,42,45-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,44-41-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H110NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-61(65)64-56-57-71-74(68,69)72-59-60(73-63(67)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)58-70-62(66)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,35,40-41,43-44,60H,4-15,18,21-24,27,30-32,34,36-39,42,45-59H2,1-3H3,(H,64,65)(H,68,69)/b19-16-,20-17-,28-25-,29-26-,35-33-,43-40-,44-41-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][C:61](=[N:64][CH2:56][CH2:57][O:71][P:74]([OH:68])(=[O:69])[O:72][CH2:59][C@@H:60]([CH2:58][O:70][C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67])[OH:65] |
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