| Properties | Image |
|---|
| MNX_ID | MNXM938881 |
 |
| reference | slm:000631266 |
| formula | C81H137NO9P |
| global charge | -1 |
| mol weight | 1299.959 |
| InChIKey | UBHRMOOKVHEBCU-SWDXJSEHSA-M |
| InChI | InChI=1S/C81H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-50-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-51-48-46-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-33,35-36,46,48,53,56,62,65,78H,4-6,9,12-15,18,21-24,27,30-31,34,37-45,47,49-52,54-55,57-61,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-35-,48-46-,56-53-,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)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H138NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-54-57-60-63-66-69-72-80(84)88-76-78(91-81(85)73-70-67-64-61-58-55-50-27-24-21-18-15-12-9-6-3)77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-56-53-51-48-46-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-33,35-36,46,48,53,56,62,65,78H,4-6,9,12-15,18,21-24,27,30-31,34,37-45,47,49-52,54-55,57-61,63-64,66-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-35-,48-46-,56-53-,65-62-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:49][CH2:52][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][C:80](=[O:84])[O:88][CH2:76][C@H:78]([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]\[CH2:51]/[CH:48]=[CH:46]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:50][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:85] |
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