| Properties | Image |
|---|
| MNX_ID | MNXM176616 |
 |
| reference | slm:000443614 |
| formula | C13H19O22P4 |
| global charge | -7 |
| mol weight | 651.169 |
| InChIKey | ABEWHDVZBDTBLL-IPDRBYILSA-G |
| InChI | InChI=1S/C13H26O22P4/c1-5(14)29-3-7(31-6(2)15)4-30-39(27,28)35-10-8(16)11(32-36(18,19)20)13(34-38(24,25)26)12(9(10)17)33-37(21,22)23/h7-13,16-17H,3-4H2,1-2H3,(H,27,28)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/p-7/t7-,8+,9+,10-,11+,12-,13-/m1/s1 |
| SMILES | CC(=O)OC[C@H](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)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C13H26O22P4/c1-5(14)29-3-7(31-6(2)15)4-30-39(27,28)35-10-8(16)11(32-36(18,19)20)13(34-38(24,25)26)12(9(10)17)33-37(21,22)23/h7-13,16-17H,3-4H2,1-2H3,(H,27,28)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,10-,11+,12-,13-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:5](=[O:14])[O:29][CH2:3][C@H:7]([CH2:4][O:30][P:39]([OH:27])(=[O:28])[O:35][C@@H:10]1[C@H:8]([OH:16])[C@H:11]([O:32][P:36]([OH:18])([OH:19])=[O:20])[C@@H:13]([O:34][P:38]([OH:24])([OH:25])=[O:26])[C@H:12]([O:33][P:37]([OH:21])([OH:22])=[O:23])[C@H:9]1[OH:17])[O:31][C:6]([CH3:2])=[O:15] |
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