| Properties | Image |
|---|
| MNX_ID | MNXM175002 |
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| reference | slm:000449971 |
| formula | C53H96O19P3 |
| global charge | -5 |
| mol weight | 1130.254 |
| InChIKey | JNCQLAYNKRLTIB-RVSPFZCWSA-I |
| InChI | InChI=1S/C53H101O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44-68-75(65,66)72-53-49(57)51(70-73(59,60)61)48(56)52(50(53)58)71-74(62,63)64/h17-20,45,48-53,56-58H,3-16,21-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b19-17-,20-18-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H101O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44-68-75(65,66)72-53-49(57)51(70-73(59,60)61)48(56)52(50(53)58)71-74(62,63)64/h17-20,45,48-53,56-58H,3-16,21-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b19-17-,20-18-/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][CH2:11][CH2:13][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:67][CH2:43][C@H:45]([CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@@H:53]1[C@H:49]([OH:57])[C@H:51]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@@H:48]([OH:56])[C@H:52]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58])[O:69][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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