| Properties | Image |
|---|
| MNX_ID | MNXM41207 |
 |
| reference | chebi:60570 |
| formula | C16H28NO16P |
| global charge | 0 |
| mol weight | 521.365 |
| InChIKey | QPUMFXQBNKSZHL-BLBQGMMYSA-N |
| InChI | InChI=1S/C16H28NO16P/c1-5(19)17-9-11(23)10(22)8(31-14(9)24)4-30-16(15(25)26)2-6(20)13(33-34(27,28)29)12(32-16)7(21)3-18/h6-14,18,20-24H,2-4H2,1H3,(H,17,19)(H,25,26)(H2,27,28,29)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,16-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]([C@H](O)CO)O2)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H28NO16P/c1-5(19)17-9-11(23)10(22)8(31-14(9)24)4-30-16(15(25)26)2-6(20)13(33-34(27,28)29)12(32-16)7(21)3-18/h6-14,18,20-24H,2-4H2,1H3,(H,17,19)(H,25,26)(H2,27,28,29)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,16-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:5](=[N:17][C@@H:9]1[C@@H:11]([OH:23])[C@H:10]([OH:22])[C@@H:8]([CH2:4][O:30][C@:16]2([C:15](=[O:25])[OH:26])[CH2:2][C@@H:6]([OH:20])[C@@H:13]([O:33][P:34]([OH:27])([OH:28])=[O:29])[C@@H:12]([C@@H:7]([CH2:3][OH:18])[OH:21])[O:32]2)[O:31][C@H:14]1[OH:24])[OH:19] |
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