| Properties | Image |
|---|
| MNX_ID | MNXM149206 |
 |
| reference | metacycM:CPD-18048 |
| formula | C18H41N5O12P |
| global charge | 3 |
| mol weight | 550.523 |
| InChIKey | CIJQBUDKHBXHON-PBHPGRRBSA-Q |
| InChI | InChI=1S/C18H38N5O12P/c19-3-9-8(25)2-7(22)17(31-9)33-14-5(20)1-6(21)15(13(14)27)34-18-16(35-36(28,29)30)11(23)12(26)10(4-24)32-18/h5-18,24-27H,1-4,19-23H2,(H2,28,29,30)/p+3/t5-,6+,7+,8-,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
| SMILES | [NH3+]C[C@H]1O[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+])[C@H]([NH3+])C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H38N5O12P/c19-3-9-8(25)2-7(22)17(31-9)33-14-5(20)1-6(21)15(13(14)27)34-18-16(35-36(28,29)30)11(23)12(26)10(4-24)32-18/h5-18,24-27H,1-4,19-23H2,(H2,28,29,30)/t5-,6+,7+,8-,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:5]([NH2:20])[C@@H:14]([O:33][C@@H:17]2[C@H:7]([NH2:22])[CH2:2][C@H:8]([OH:25])[C@@H:9]([CH2:3][NH2:19])[O:31]2)[C@H:13]([OH:27])[C@@H:15]([O:34][C@@H:18]2[C@H:16]([O:35][P:36]([OH:28])([OH:29])=[O:30])[C@@H:11]([NH2:23])[C@H:12]([OH:26])[C@@H:10]([CH2:4][OH:24])[O:32]2)[C@@H:6]1[NH2:21] |
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