| Properties | Image |
|---|
| MNX_ID | MNXM193516 |
 |
| reference | slm:000492833 |
| formula | C69H111O22P4 |
| global charge | -7 |
| mol weight | 1416.521 |
| InChIKey | XGZLUOZPWDODIJ-AGLZHUDWSA-G |
| InChI | InChI=1S/C69H118O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(71)87-61(59-85-62(70)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2)60-86-95(83,84)91-66-64(72)67(88-92(74,75)76)69(90-94(80,81)82)68(65(66)73)89-93(77,78)79/h6,8,11-14,17-20,23-26,28-29,31-32,37,39,61,64-69,72-73H,3-5,7,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H,83,84)(H2,74,75,76)(H2,77,78,79)(H2,80,81,82)/p-7/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-,64+,65+,66-,67+,68-,69-/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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(71)87-61(59-85-62(70)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2)60-86-95(83,84)91-66-64(72)67(88-92(74,75)76)69(90-94(80,81)82)68(65(66)73)89-93(77,78)79/h6,8,11-14,17-20,23-26,28-29,31-32,37,39,61,64-69,72-73H,3-5,7,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H,83,84)(H2,74,75,76)(H2,77,78,79)(H2,80,81,82)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-,64+,65+,66-,67+,68-,69-/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][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:63](=[O:71])[O:87][C@H:61]([CH2:59][O:85][C:62]([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: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:70])[CH2:60][O:86][P:95]([OH:83])(=[O:84])[O:91][C@@H:66]1[C@H:64]([OH:72])[C@H:67]([O:88][P:92]([OH:74])([OH:75])=[O:76])[C@@H:69]([O:90][P:94]([OH:80])([OH:81])=[O:82])[C@H:68]([O:89][P:93]([OH:77])([OH:78])=[O:79])[C@H:65]1[OH:73] |
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