| Properties | Image |
|---|
| MNX_ID | MNXM966248 |
 |
| reference | slm:000658633 |
| formula | C79H135NO9P |
| global charge | -1 |
| mol weight | 1273.921 |
| InChIKey | QJYWWJIOOKVEHN-PGJJAHCJSA-M |
| InChI | InChI=1S/C79H136NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-36-37-38-39-40-42-43-45-47-49-52-55-58-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-24-21-18-15-12-9-6-3)89-79(83)71-68-65-62-59-56-53-50-48-46-44-41-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,36-37,44,46,50,53,76H,4-7,9-10,12-15,18,21-24,29-30,35,38-43,45,47-49,51-52,54-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,37-36-,46-44-,53-50-/t76-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H136NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-36-37-38-39-40-42-43-45-47-49-52-55-58-61-64-67-70-78(82)86-74-76(75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-24-21-18-15-12-9-6-3)89-79(83)71-68-65-62-59-56-53-50-48-46-44-41-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-34,36-37,44,46,50,53,76H,4-7,9-10,12-15,18,21-24,29-30,35,38-43,45,47-49,51-52,54-75H2,1-3H3,(H,80,81)(H,84,85)/b11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,37-36-,46-44-,53-50-/t76-/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:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][C:78](=[O:82])[O:86][CH2:74][C@H:76]([CH2:75][O:88][P:90]([OH:84])(=[O:85])[O:87][CH2:73][CH2:72][N:80]=[C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:81])[O:89][C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:48]/[CH:46]=[CH:44]\[CH2:41]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:83] |
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