| Properties | Image |
|---|
| MNX_ID | MNXM965059 |
 |
| reference | slm:000657444 |
| formula | C77H131NO9P |
| global charge | -1 |
| mol weight | 1245.867 |
| InChIKey | BOWDLLXEEDRSFI-KNGJKEOZSA-M |
| InChI | InChI=1S/C77H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-42-44-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-45-43-40-33-31-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,40,45,48,54,57,74H,4-7,9-10,12-15,18,21-24,27,30-31,35,38-39,41-44,46-47,49-53,55-56,58-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,40-33-,48-45-,57-54-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H132NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-42-44-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-45-43-40-33-31-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,40,45,48,54,57,74H,4-7,9-10,12-15,18,21-24,27,30-31,35,38-39,41-44,46-47,49-53,55-56,58-73H2,1-3H3,(H,78,79)(H,82,83)/b11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,37-36-,40-33-,48-45-,57-54-/t74-/m1/s1 |
 |
| 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:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:41][CH2:42][CH2:44][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][CH2:46][CH2:27][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][CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:45]\[CH2:43]/[CH:40]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:81] |
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