| Properties | Image |
|---|
| MNX_ID | MNXM320790 |
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| reference | slm:000449537 |
| formula | C41H68O19P3 |
| global charge | -5 |
| mol weight | 957.898 |
| InChIKey | KSIOOSZBFVZGJL-CRFYXJJBSA-I |
| InChI | InChI=1S/C41H73O19P3/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,33,36-41,44-46H,3-4,6,8-9,14-15,18-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/p-5/b7-5-,12-10-,13-11-,17-16-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C41H73O19P3/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,33,36-41,44-46H,3-4,6,8-9,14-15,18-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b7-5-,12-10-,13-11-,17-16-/t33-,36-,37-,38-,39-,40+,41-/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:16]=[CH:17]\[CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:42])[O:55][CH2:31][C@H:33]([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])[O:57][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:43] |
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