| Properties | Image |
|---|
| MNX_ID | MNXM938400 |
 |
| reference | slm:000630785 |
| formula | C81H139NO9P |
| global charge | -1 |
| mol weight | 1301.975 |
| InChIKey | QALWEBSIMXFASM-TXYKCEQLSA-M |
| InChI | InChI=1S/C81H140NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-38-39-40-42-43-45-47-49-51-53-55-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-56-54-52-50-48-46-44-41-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,29-32,35-37,41,46,48,78H,4-6,8-9,11-15,18,21-22,27-28,33-34,38-40,42-45,47,49-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,41-36-,48-46-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H140NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-38-39-40-42-43-45-47-49-51-53-55-57-60-63-66-69-72-80(84)88-76-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-59-18-15-12-9-6-3)91-81(85)73-70-67-64-61-58-56-54-52-50-48-46-44-41-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,29-32,35-37,41,46,48,78H,4-6,8-9,11-15,18,21-22,27-28,33-34,38-40,42-45,47,49-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,19-16-,20-17-,25-23-,26-24-,31-29-,32-30-,37-35-,41-36-,48-46-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][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][CH2:65][CH2:62][CH2:59][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83])[O:91][C:81]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50]/[CH:48]=[CH:46]\[CH2:44]/[CH:41]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:85] |
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