| Properties | Image |
|---|
| MNX_ID | MNXM937996 |
 |
| reference | slm:000630381 |
| formula | C77H129NO9P |
| global charge | -1 |
| mol weight | 1243.851 |
| InChIKey | CASLRKGQAHGULK-DCHAPZCDSA-M |
| InChI | InChI=1S/C77H130NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-35-36-37-38-39-40-41-42-44-45-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-46-43-30-28-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,43,46,51,54,60,63,74H,4-6,9,12-15,18,21-24,29-30,33,36-42,44-45,47-50,52-53,55-59,61-62,64-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-31-,35-34-,46-43-,54-51-,63-60-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H130NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-35-36-37-38-39-40-41-42-44-45-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-46-43-30-28-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-24-21-18-15-12-9-6-3/h7-8,10-11,16-17,19-20,25-28,31-32,34-35,43,46,51,54,60,63,74H,4-6,9,12-15,18,21-24,29-30,33,36-42,44-45,47-50,52-53,55-59,61-62,64-73H2,1-3H3,(H,78,79)(H,82,83)/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,32-31-,35-34-,46-43-,54-51-,63-60-/t74-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:35]\[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:44][CH2:45][CH2:47][CH2:50][CH2:53][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][CH2:55][CH2:52][CH2:49][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79])[O:87][C:77]([CH2:69][CH2:66]/[CH:63]=[CH:60]\[CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:46]=[CH:43]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:81] |
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