| Properties | Image |
|---|
| MNX_ID | MNXM219253 |
 |
| reference | slm:000440192 |
| formula | C53H85O22P4 |
| global charge | -7 |
| mol weight | 1198.137 |
| InChIKey | PCLHZVUQFINPQE-FCHBMSBESA-G |
| InChI | InChI=1S/C53H92O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,24,26,30,32,36,38,45,48-53,56-57H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/p-7/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-,48+,49+,50-,51+,52-,53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C53H92O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,24,26,30,32,36,38,45,48-53,56-57H,3-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/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]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:69][CH2:43][C@H:45]([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])[O:71][C:47]([CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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