| Properties | Image |
|---|
| MNX_ID | MNXM211923 |
 |
| reference | slm:000427122 |
| formula | C42H68O19P3 |
| global charge | -5 |
| mol weight | 969.909 |
| InChIKey | WSJAFXHDTDXDSL-SJVUCNETSA-I |
| InChI | InChI=1S/C42H73O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-36(44)56-32-34(58-35(43)4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h8-9,11-12,14-15,17-18,20-21,34,37-42,45-47H,3-7,10,13,16,19,22-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/p-5/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,37-,38-,39+,40+,41+,42+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C42H73O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-36(44)56-32-34(58-35(43)4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h8-9,11-12,14-15,17-18,20-21,34,37-42,45-47H,3-7,10,13,16,19,22-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,37-,38-,39+,40+,41+,42+/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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:36](=[O:44])[O:56][CH2:32][C@H:34]([CH2:33][O:57][P:64]([OH:54])(=[O:55])[O:61][C@H:40]1[C@H:37]([OH:45])[C@@H:38]([OH:46])[C@H:41]([O:59][P:62]([OH:48])([OH:49])=[O:50])[C@@H:42]([O:60][P:63]([OH:51])([OH:52])=[O:53])[C@H:39]1[OH:47])[O:58][C:35]([CH2:4][CH3:2])=[O:43] |
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