| Properties | Image |
|---|
| MNX_ID | MNXM149093 |
 |
| reference | metacycM:CPD-18047 |
| formula | C18H41N5O13P |
| global charge | 3 |
| mol weight | 566.522 |
| InChIKey | WTVPFYFBRXKERY-XKKMFIIVSA-Q |
| InChI | InChI=1S/C18H38N5O13P/c19-2-6-11(26)12(27)9(23)17(32-6)34-14-4(20)1-5(21)15(13(14)28)35-18-16(36-37(29,30)31)8(22)10(25)7(3-24)33-18/h4-18,24-28H,1-3,19-23H2,(H2,29,30,31)/p+3/t4-,5+,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@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H38N5O13P/c19-2-6-11(26)12(27)9(23)17(32-6)34-14-4(20)1-5(21)15(13(14)28)35-18-16(36-37(29,30)31)8(22)10(25)7(3-24)33-18/h4-18,24-28H,1-3,19-23H2,(H2,29,30,31)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:4]([NH2:20])[C@@H:14]([O:34][C@@H:17]2[C@H:9]([NH2:23])[C@@H:12]([OH:27])[C@H:11]([OH:26])[C@@H:6]([CH2:2][NH2:19])[O:32]2)[C@H:13]([OH:28])[C@@H:15]([O:35][C@@H:18]2[C@H:16]([O:36][P:37]([OH:29])([OH:30])=[O:31])[C@@H:8]([NH2:22])[C@H:10]([OH:25])[C@@H:7]([CH2:3][OH:24])[O:33]2)[C@@H:5]1[NH2:21] |
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