| Properties | Image |
|---|
| MNX_ID | MNXM235245 |
 |
| reference | slm:000440676 |
| formula | C55H93O22P4 |
| global charge | -7 |
| mol weight | 1230.223 |
| InChIKey | OIPCQAHUDLCCMV-ADMSQNMYSA-G |
| InChI | InChI=1S/C55H100O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)71-45-47(73-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h12,14,17-20,25,28,32,34,47,50-55,58-59H,3-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/p-7/b14-12-,19-17-,20-18-,28-25-,34-32-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C55H100O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)71-45-47(73-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h12,14,17-20,25,28,32,34,47,50-55,58-59H,3-11,13,15-16,21-24,26-27,29-31,33,35-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/b14-12-,19-17-,20-18-,28-25-,34-32-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
 |
| 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][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:71][CH2:45][C@H:47]([CH2:46][O:72][P:81]([OH:69])(=[O:70])[O:77][C@@H:52]1[C@H:50]([OH:58])[C@H:53]([O:74][P:78]([OH:60])([OH:61])=[O:62])[C@@H:55]([O:76][P:80]([OH:66])([OH:67])=[O:68])[C@H:54]([O:75][P:79]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59])[O:73][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
|