| Properties | Image |
|---|
| MNX_ID | MNXM180004 |
 |
| reference | slm:000493535 |
| formula | C75H124O13P |
| global charge | -1 |
| mol weight | 1264.778 |
| InChIKey | RRPXQBTYXOLHAK-LFAMSJLMSA-M |
| InChI | InChI=1S/C75H125O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-69(77)87-67(66-86-89(83,84)88-75-73(81)71(79)70(78)72(80)74(75)82)65-85-68(76)63-61-59-57-55-53-51-49-47-45-43-41-39-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,32-33,39,41,45,47,67,70-75,78-82H,3-5,7,9-10,15-16,21-22,27-28,31,34-38,40,42-44,46,48-66H2,1-2H3,(H,83,84)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-32-,41-39-,47-45-/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\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H125O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-69(77)87-67(66-86-89(83,84)88-75-73(81)71(79)70(78)72(80)74(75)82)65-85-68(76)63-61-59-57-55-53-51-49-47-45-43-41-39-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,32-33,39,41,45,47,67,70-75,78-82H,3-5,7,9-10,15-16,21-22,27-28,31,34-38,40,42-44,46,48-66H2,1-2H3,(H,83,84)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-32-,41-39-,47-45-/t67-,70-,71-,72+,73-,74-,75-/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][CH2:35][CH2:36][CH2:37][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:87][C@H:67]([CH2:65][O:85][C:68]([CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:39]\[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:86][P:89]([OH:83])(=[O:84])[O:88][C@@H:75]1[C@H:73]([OH:81])[C@H:71]([OH:79])[C@@H:70]([OH:78])[C@H:72]([OH:80])[C@H:74]1[OH:82] |
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