| Properties | Image |
|---|
| MNX_ID | MNXM149028 |
 |
| reference | metacycM:CPD-18049 |
| formula | C18H41N5O11P |
| global charge | 3 |
| mol weight | 534.524 |
| InChIKey | MXMQTHMIKQNHFR-RIAUZLPBSA-Q |
| InChI | InChI=1S/C18H38N5O11P/c19-4-6-1-2-7(20)17(30-6)32-14-8(21)3-9(22)15(13(14)26)33-18-16(34-35(27,28)29)11(23)12(25)10(5-24)31-18/h6-18,24-26H,1-5,19-23H2,(H2,27,28,29)/p+3/t6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
| SMILES | [NH3+]C[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3OP(=O)([O-])[O-])[C@H]([NH3+])C[C@@H]2[NH3+])O1 |
MNX internals
| InChI (mnx) | InChI=1/C18H38N5O11P/c19-4-6-1-2-7(20)17(30-6)32-14-8(21)3-9(22)15(13(14)26)33-18-16(34-35(27,28)29)11(23)12(25)10(5-24)31-18/h6-18,24-26H,1-5,19-23H2,(H2,27,28,29)/t6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:7]([NH2:20])[C@@H:17]([O:32][C@@H:14]2[C@@H:8]([NH2:21])[CH2:3][C@@H:9]([NH2:22])[C@H:15]([O:33][C@@H:18]3[C@H:16]([O:34][P:35]([OH:27])([OH:28])=[O:29])[C@@H:11]([NH2:23])[C@H:12]([OH:25])[C@@H:10]([CH2:5][OH:24])[O:31]3)[C@H:13]2[OH:26])[O:30][C@@H:6]1[CH2:4][NH2:19] |
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