| Properties | Image |
|---|
| MNX_ID | MNXM193592 |
 |
| reference | slm:000492178 |
| formula | C71H117O16P2 |
| global charge | -3 |
| mol weight | 1288.649 |
| InChIKey | LXYRSCVVXYXPSM-ULSQTJPRSA-K |
| InChI | InChI=1S/C71H120O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)85-63(62-84-89(81,82)87-71-68(76)66(74)67(75)70(69(71)77)86-88(78,79)80)61-83-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,31-32,39,41,63,66-71,74-77H,3-5,7,9-10,15-16,21-22,27,30,33-38,40,42-62H2,1-2H3,(H,81,82)(H2,78,79,80)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-/t63-,66-,67-,68-,69-,70+,71-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H120O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)85-63(62-84-89(81,82)87-71-68(76)66(74)67(75)70(69(71)77)86-88(78,79)80)61-83-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,31-32,39,41,63,66-71,74-77H,3-5,7,9-10,15-16,21-22,27,30,33-38,40,42-62H2,1-2H3,(H,81,82)(H2,78,79,80)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-/t63-,66-,67-,68-,69-,70+,71-/m1/s1 |
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| 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:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][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:85][C@H:63]([CH2:61][O:83][C:64]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[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:72])[CH2:62][O:84][P:89]([OH:81])(=[O:82])[O:87][C@@H:71]1[C@H:68]([OH:76])[C@H:66]([OH:74])[C@@H:67]([OH:75])[C@H:70]([O:86][P:88]([OH:78])([OH:79])=[O:80])[C@H:69]1[OH:77] |
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