| Properties | Image |
|---|
| MNX_ID | MNXM181065 |
 |
| reference | slm:000496265 |
| formula | C71H116O19P3 |
| global charge | -5 |
| mol weight | 1366.612 |
| InChIKey | CLCIDPNYXSELSE-JPFDRVBASA-I |
| InChI | InChI=1S/C71H121O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)87-63(62-86-93(83,84)90-69-66(74)67(75)70(88-91(77,78)79)71(68(69)76)89-92(80,81)82)61-85-64(72)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,32-33,35,37,41,43,63,66-71,74-76H,3-10,15-16,21-22,27-28,31,34,36,38-40,42,44-62H2,1-2H3,(H,83,84)(H2,77,78,79)(H2,80,81,82)/p-5/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-32-,37-35-,43-41-/t63-,66-,67+,68+,69-,70-,71-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C71H121O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)87-63(62-86-93(83,84)90-69-66(74)67(75)70(88-91(77,78)79)71(68(69)76)89-92(80,81)82)61-85-64(72)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,32-33,35,37,41,43,63,66-71,74-76H,3-10,15-16,21-22,27-28,31,34,36,38-40,42,44-62H2,1-2H3,(H,83,84)(H2,77,78,79)(H2,80,81,82)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-32-,37-35-,43-41-/t63-,66-,67+,68+,69-,70-,71-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][C:65](=[O:73])[O:87][C@H:63]([CH2:61][O:85][C:64]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:35]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:72])[CH2:62][O:86][P:93]([OH:83])(=[O:84])[O:90][C@@H:69]1[C@H:66]([OH:74])[C@H:67]([OH:75])[C@@H:70]([O:88][P:91]([OH:77])([OH:78])=[O:79])[C@H:71]([O:89][P:92]([OH:80])([OH:81])=[O:82])[C@H:68]1[OH:76] |
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