| Properties | Image |
|---|
| MNX_ID | MNXM960706 |
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| reference | slm:000653091 |
| formula | C69H111NO9P |
| global charge | -1 |
| mol weight | 1129.619 |
| InChIKey | ZTRQGDRYGPWMRH-QNXYFSGASA-M |
| InChI | InChI=1S/C69H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-38,40,42,45-46,49,66H,4-8,10-11,13-15,22-24,30-31,35,39,41,43-44,47-48,50-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-34-,38-27-,40-37-,45-42-,49-46-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-69(73)79-66(64-76-68(72)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2)65-78-80(74,75)77-63-62-70-67(71)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3/h9,12,16-21,25-29,32-34,36-38,40,42,45-46,49,66H,4-8,10-11,13-15,22-24,30-31,35,39,41,43-44,47-48,50-65H2,1-3H3,(H,70,71)(H,74,75)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,36-34-,38-27-,40-37-,45-42-,49-46-/t66-/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:32]=[CH:33]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43]/[CH:46]=[CH:49]\[CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:73])[O:79][C@H:66]([CH2:64][O:76][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:36]=[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:72])[CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:71] |
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