| Properties | Image |
|---|
| MNX_ID | MNXM180355 |
 |
| reference | slm:000438947 |
| formula | C53H83O22P4 |
| global charge | -7 |
| mol weight | 1196.121 |
| InChIKey | LLDLLTRBQRCKNO-ASSIZUEISA-G |
| InChI | InChI=1S/C53H90O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)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/h5,7-8,10-11,13-14,16-18,20-21,23-24,26-27,45,48-53,56-57H,3-4,6,9,12,15,19,22,25,28-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/p-7/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t45-,48+,49+,50-,51+,52-,53-/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](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)69-43-45(71-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)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/h5,7-8,10-11,13-14,16-18,20-21,23-24,26-27,45,48-53,56-57H,3-4,6,9,12,15,19,22,25,28-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t45-,48+,49+,50-,51+,52-,53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][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][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:55] |
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