| Properties | Image |
|---|
| MNX_ID | MNXM343567 |
 |
| reference | slm:000450127 |
| formula | C41H68O19P3 |
| global charge | -5 |
| mol weight | 957.898 |
| InChIKey | QXRADYUNGBPTQV-YPVUJHAFSA-I |
| InChI | InChI=1S/C41H73O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-35(43)57-33(31-55-34(42)29-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h8-9,11-12,14-15,17-18,33,36-41,44-46H,3-7,10,13,16,19-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/p-5/b9-8-,12-11-,15-14-,18-17-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C41H73O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-35(43)57-33(31-55-34(42)29-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h8-9,11-12,14-15,17-18,33,36-41,44-46H,3-7,10,13,16,19-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b9-8-,12-11-,15-14-,18-17-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][C:35](=[O:43])[O:57][C@H:33]([CH2:31][O:55][C:34]([CH2:29][CH2:4][CH3:2])=[O:42])[CH2:32][O:56][P:63]([OH:53])(=[O:54])[O:60][C@@H:41]1[C@H:37]([OH:45])[C@H:39]([O:58][P:61]([OH:47])([OH:48])=[O:49])[C@@H:36]([OH:44])[C@H:40]([O:59][P:62]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46] |
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