| Properties | Image |
|---|
| MNX_ID | MNXM336261 |
 |
| reference | slm:000449899 |
| formula | C55H92O19P3 |
| global charge | -5 |
| mol weight | 1150.244 |
| InChIKey | NJFSAWGEHXYLDA-LCTZXXNCSA-I |
| InChI | InChI=1S/C55H97O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-49(57)71-47(45-69-48(56)43-41-39-37-35-33-14-12-10-8-6-4-2)46-70-77(67,68)74-55-51(59)53(72-75(61,62)63)50(58)54(52(55)60)73-76(64,65)66/h5,7,10-13,16-17,19-20,22-23,47,50-55,58-60H,3-4,6,8-9,14-15,18,21,24-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/p-5/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/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\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C55H97O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-49(57)71-47(45-69-48(56)43-41-39-37-35-33-14-12-10-8-6-4-2)46-70-77(67,68)74-55-51(59)53(72-75(61,62)63)50(58)54(52(55)60)73-76(64,65)66/h5,7,10-13,16-17,19-20,22-23,47,50-55,58-60H,3-4,6,8-9,14-15,18,21,24-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:71][C@H:47]([CH2:45][O:69][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:70][P:77]([OH:67])(=[O:68])[O:74][C@@H:55]1[C@H:51]([OH:59])[C@H:53]([O:72][P:75]([OH:61])([OH:62])=[O:63])[C@@H:50]([OH:58])[C@H:54]([O:73][P:76]([OH:64])([OH:65])=[O:66])[C@H:52]1[OH:60] |
|