| Properties | Image |
|---|
| MNX_ID | MNXM320254 |
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| reference | slm:000443128 |
| formula | C53H83O22P4 |
| global charge | -7 |
| mol weight | 1196.121 |
| InChIKey | YWXHKOWUEPAISM-GCLHZXAMSA-G |
| InChI | InChI=1S/C53H90O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(55)71-45(43-69-46(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)44-70-79(67,68)75-50-48(56)51(72-76(58,59)60)53(74-78(64,65)66)52(49(50)57)73-77(61,62)63/h6,8,11-14,17-19,21-22,24-25,27-28,30,45,48-53,56-57H,3-5,7,9-10,15-16,20,23,26,29,31-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/p-7/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,30-28-/t45-,48+,49+,50-,51+,52-,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(55)71-45(43-69-46(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)44-70-79(67,68)75-50-48(56)51(72-76(58,59)60)53(74-78(64,65)66)52(49(50)57)73-77(61,62)63/h6,8,11-14,17-19,21-22,24-25,27-28,30,45,48-53,56-57H,3-5,7,9-10,15-16,20,23,26,29,31-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/b8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,30-28-/t45-,48+,49+,50-,51+,52-,53-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:71][C@H:45]([CH2:43][O:69][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:54])[CH2:44][O:70][P:79]([OH:67])(=[O:68])[O:75][C@@H:50]1[C@H:48]([OH:56])[C@H:51]([O:72][P:76]([OH:58])([OH:59])=[O:60])[C@@H:53]([O:74][P:78]([OH:64])([OH:65])=[O:66])[C@H:52]([O:73][P:77]([OH:61])([OH:62])=[O:63])[C@H:49]1[OH:57] |
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