| Properties | Image |
|---|
| MNX_ID | MNXM959500 |
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| reference | slm:000651885 |
| formula | C79H139NO9P |
| global charge | -1 |
| mol weight | 1277.953 |
| InChIKey | CAIZAFQSTYULBI-FAXZMCHOSA-M |
| InChI | InChI=1S/C79H140NO9P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-50-53-56-59-62-65-68-71-79(83)89-76(74-86-78(82)70-67-64-61-58-55-52-49-47-28-26-23-20-17-14-11-8-5-2)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/h16-17,19-20,25-28,30-31,33-34,49,52,58,61,76H,4-15,18,21-24,29,32,35-48,50-51,53-57,59-60,62-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b19-16-,20-17-,27-25-,28-26-,31-30-,34-33-,52-49-,61-58-/t76-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H140NO9P/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-50-53-56-59-62-65-68-71-79(83)89-76(74-86-78(82)70-67-64-61-58-55-52-49-47-28-26-23-20-17-14-11-8-5-2)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/h16-17,19-20,25-28,30-31,33-34,49,52,58,61,76H,4-15,18,21-24,29,32,35-48,50-51,53-57,59-60,62-75H2,1-3H3,(H,80,81)(H,84,85)/b19-16-,20-17-,27-25-,28-26-,31-30-,34-33-,52-49-,61-58-/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:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][C:79](=[O:83])[O:89][C@H:76]([CH2:74][O:86][C:78]([CH2:70][CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:52]=[CH:49]\[CH2:47]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:82])[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] |
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