| Properties | Image |
|---|
| MNX_ID | MNXM962163 |
 |
| reference | slm:000654548 |
| formula | C68H113NO9P |
| global charge | -1 |
| mol weight | 1119.624 |
| InChIKey | DBCVOYFEVSANKP-PLLDCTAWSA-M |
| InChI | InChI=1S/C68H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-39-42-44-47-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-48-45-41-27-24-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-43-40-38-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,39-40,43,49,52,65H,4-7,9-10,12-15,18,21-24,27,30-31,35,38,41-42,44-48,50-51,53-64H2,1-3H3,(H,69,70)(H,73,74)/p-1/b11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-34-,39-37-,43-40-,52-49-/t65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-39-42-44-47-50-53-56-59-67(71)75-63-65(78-68(72)60-57-54-51-48-45-41-27-24-21-18-15-12-9-6-3)64-77-79(73,74)76-62-61-69-66(70)58-55-52-49-46-43-40-38-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,39-40,43,49,52,65H,4-7,9-10,12-15,18,21-24,27,30-31,35,38,41-42,44-48,50-51,53-64H2,1-3H3,(H,69,70)(H,73,74)/b11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-34-,39-37-,43-40-,52-49-/t65-/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:39]\[CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:75][CH2:63][C@H:65]([CH2:64][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:62][CH2:61][N:69]=[C:66]([CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:70])[O:78][C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:41][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72] |
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