| Properties | Image |
|---|
| MNX_ID | MNXM193293 |
 |
| reference | slm:000426503 |
| formula | C55H92O19P3 |
| global charge | -5 |
| mol weight | 1150.244 |
| InChIKey | XSVBMJUIGSOYQD-MEBVPUEHSA-I |
| InChI | InChI=1S/C55H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(56)69-45-47(71-49(57)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-53-50(58)51(59)54(72-75(61,62)63)55(52(53)60)73-76(64,65)66/h5,7,11,13,17-20,22-23,25-26,47,50-55,58-60H,3-4,6,8-10,12,14-16,21,24,27-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/p-5/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-/t47-,50-,51-,52+,53+,54+,55+/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](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(56)69-45-47(71-49(57)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-53-50(58)51(59)54(72-75(61,62)63)55(52(53)60)73-76(64,65)66/h5,7,11,13,17-20,22-23,25-26,47,50-55,58-60H,3-4,6,8-10,12,14-16,21,24,27-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-/t47-,50-,51-,52+,53+,54+,55+/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:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:69][CH2:45][C@H:47]([CH2:46][O:70][P:77]([OH:67])(=[O:68])[O:74][C@H:53]1[C@H:50]([OH:58])[C@@H:51]([OH:59])[C@H:54]([O:72][P:75]([OH:61])([OH:62])=[O:63])[C@@H:55]([O:73][P:76]([OH:64])([OH:65])=[O:66])[C@H:52]1[OH:60])[O:71][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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