| Properties | Image |
|---|
| MNX_ID | MNXM967435 |
 |
| reference | slm:000659820 |
| formula | C77H131NO9P |
| global charge | -1 |
| mol weight | 1245.867 |
| InChIKey | KVOJLZZFBUDGLQ-FRJUAWOYSA-M |
| InChI | InChI=1S/C77H132NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-59-62-65-68-76(80)84-72-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-15-12-9-6-3)87-77(81)69-66-63-60-57-55-53-51-49-47-45-43-40-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,28-31,34-35,40,43,47,49,74H,4-7,9-10,12-15,20-21,26-27,32-33,36-39,41-42,44-46,48,50-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,35-34-,43-40-,49-47-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H132NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-59-62-65-68-76(80)84-72-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-15-12-9-6-3)87-77(81)69-66-63-60-57-55-53-51-49-47-45-43-40-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,16-19,22-25,28-31,34-35,40,43,47,49,74H,4-7,9-10,12-15,20-21,26-27,32-33,36-39,41-42,44-46,48,50-73H2,1-3H3,(H,78,79)(H,82,83)/b11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,35-34-,43-40-,49-47-/t74-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][C:76](=[O:80])[O:84][CH2:72][C@H:74]([CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61][CH2:58][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79])[O:87][C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:55][CH2:53][CH2:51]/[CH:49]=[CH:47]\[CH2:45]/[CH:43]=[CH:40]\[CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:81] |
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