| Properties | Image |
|---|
| MNX_ID | MNXM957024 |
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| reference | slm:000649409 |
| formula | C63H103NO9P |
| global charge | -1 |
| mol weight | 1049.489 |
| InChIKey | KQQFSUXMSDPSKD-ICGCHTGXSA-M |
| InChI | InChI=1S/C63H104NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-37,43,46,60H,4-8,10-11,13-15,22-24,30-31,35,38-42,44-45,47-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H104NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-37,43,46,60H,4-8,10-11,13-15,22-24,30-31,35,38-42,44-45,47-59H2,1-3H3,(H,64,65)(H,68,69)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,46-43-/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:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([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][CH2:38][CH2:35]/[CH:32]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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