| Properties | Image |
|---|
| MNX_ID | MNXM149055 |
 |
| reference | metacycM:CPD-17666 |
| formula | C18H39N4O13P |
| global charge | 2 |
| mol weight | 550.499 |
| InChIKey | PXSUGBVAGZNENQ-RXPIPMLDSA-P |
| InChI | InChI=1S/C18H37N4O13P/c1-22-10-7(24)4-31-18(16(10)35-36(28,29)30)34-15-6(20)2-5(19)14(13(15)27)33-17-9(21)12(26)11(25)8(3-23)32-17/h5-18,22-27H,2-4,19-21H2,1H3,(H2,28,29,30)/p+2/t5-,6+,7+,8+,9+,10-,11+,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
| SMILES | C[NH2+][C@@H]1[C@@H](OP(=O)([O-])[O-])[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H37N4O13P/c1-22-10-7(24)4-31-18(16(10)35-36(28,29)30)34-15-6(20)2-5(19)14(13(15)27)33-17-9(21)12(26)11(25)8(3-23)32-17/h5-18,22-27H,2-4,19-21H2,1H3,(H2,28,29,30)/t5-,6+,7+,8+,9+,10-,11+,12+,13-,14+,15-,16+,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][NH:22][C@H:10]1[C@H:7]([OH:24])[CH2:4][O:31][C@H:18]([O:34][C@H:15]2[C@H:6]([NH2:20])[CH2:2][C@H:5]([NH2:19])[C@@H:14]([O:33][C@@H:17]3[C@H:9]([NH2:21])[C@@H:12]([OH:26])[C@H:11]([OH:25])[C@@H:8]([CH2:3][OH:23])[O:32]3)[C@@H:13]2[OH:27])[C@@H:16]1[O:35][P:36]([OH:28])([OH:29])=[O:30] |
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