| Properties | Image |
|---|
| MNX_ID | MNXM960637 |
 |
| reference | slm:000653022 |
| formula | C81H131NO9P |
| global charge | -1 |
| mol weight | 1293.911 |
| InChIKey | KXNYOUGVXSTLKW-QWZIWPAMSA-M |
| InChI | InChI=1S/C81H132NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-46-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-45-33-30-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-47-44-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34-35,37-38,44-45,47-48,53-54,56-57,62,65,78H,4-7,9-10,12-15,22-24,31-33,36,39-43,46,49-52,55,58-61,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,38-37-,47-44-,48-45-,56-53-,57-54-,65-62-/t78-/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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H132NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-46-49-52-55-58-61-64-67-70-73-81(85)91-78(76-88-80(84)72-69-66-63-60-57-54-51-48-45-33-30-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-50-47-44-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,34-35,37-38,44-45,47-48,53-54,56-57,62,65,78H,4-7,9-10,12-15,22-24,31-33,36,39-43,46,49-52,55,58-61,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,38-37-,47-44-,48-45-,56-53-,57-54-,65-62-/t78-/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]\[CH2:31]/[CH:34]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][C:81](=[O:85])[O:91][C@H:78]([CH2:76][O:88][C:80]([CH2:72][CH2:69][CH2:66][CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:45]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:84])[CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68]/[CH:65]=[CH:62]\[CH2:59]/[CH:56]=[CH:53]\[CH2:50]/[CH:47]=[CH:44]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:83] |
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