| Properties | Image |
|---|
| MNX_ID | MNXM216821 |
 |
| reference | slm:000465666 |
| formula | C55H94O19P3 |
| global charge | -5 |
| mol weight | 1152.26 |
| InChIKey | WCCATJHIQFGZSP-IWMJFOLASA-I |
| InChI | InChI=1S/C55H99O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)69-45-47(71-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,21-22,24-25,47,50-55,58-60H,3-4,6,8-10,12,14-16,18,20,23,26-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/p-5/b7-5-,13-11-,19-17-,22-21-,25-24-/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\CCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H99O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)69-45-47(71-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,21-22,24-25,47,50-55,58-60H,3-4,6,8-10,12,14-16,18,20,23,26-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b7-5-,13-11-,19-17-,22-21-,25-24-/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:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:30][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][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
|