| Properties | Image |
|---|
| MNX_ID | MNXM225323 |
 |
| reference | slm:000433944 |
| formula | C75H121O16P2 |
| global charge | -3 |
| mol weight | 1340.725 |
| InChIKey | BOJSEPXMZKFAGH-ZLVCHACISA-K |
| InChI | InChI=1S/C75H124O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-69(77)89-67(66-88-93(85,86)91-75-72(80)70(78)71(79)74(73(75)81)90-92(82,83)84)65-87-68(76)63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,34,36-37,39,67,70-75,78-81H,3-4,9-10,15-16,21-22,27-28,33,35,38,40-66H2,1-2H3,(H,85,86)(H2,82,83,84)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,36-34-,39-37-/t67-,70-,71-,72-,73-,74+,75-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C75H124O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-69(77)89-67(66-88-93(85,86)91-75-72(80)70(78)71(79)74(73(75)81)90-92(82,83)84)65-87-68(76)63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,34,36-37,39,67,70-75,78-81H,3-4,9-10,15-16,21-22,27-28,33,35,38,40-66H2,1-2H3,(H,85,86)(H2,82,83,84)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,36-34-,39-37-/t67-,70-,71-,72-,73-,74+,75-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:34]=[CH: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][CH2:62][CH2:64][C:69](=[O:77])[O:89][C@H:67]([CH2:65][O:87][C:68]([CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:35]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:76])[CH2:66][O:88][P:93]([OH:85])(=[O:86])[O:91][C@@H:75]1[C@H:72]([OH:80])[C@H:70]([OH:78])[C@@H:71]([OH:79])[C@H:74]([O:90][P:92]([OH:82])([OH:83])=[O:84])[C@H:73]1[OH:81] |
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