| Properties | Image |
|---|
| MNX_ID | MNXM147760 |
 |
| reference | metacycM:CPD-15229 |
| formula | C19H43N5O12P |
| global charge | 3 |
| mol weight | 564.55 |
| InChIKey | KJWHNKZLQYVMOX-SBBYWOSISA-Q |
| InChI | InChI=1S/C19H40N5O12P/c1-19(28)5-32-18(12(27)16(19)24-2)35-14-7(22)3-6(21)13(11(14)26)34-17-9(23)15(36-37(29,30)31)10(25)8(4-20)33-17/h6-18,24-28H,3-5,20-23H2,1-2H3,(H2,29,30,31)/p+3/t6-,7+,8+,9+,10+,11-,12+,13+,14-,15+,16+,17+,18+,19-/m0/s1 |
| SMILES | C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C19H40N5O12P/c1-19(28)5-32-18(12(27)16(19)24-2)35-14-7(22)3-6(21)13(11(14)26)34-17-9(23)15(36-37(29,30)31)10(25)8(4-20)33-17/h6-18,24-28H,3-5,20-23H2,1-2H3,(H2,29,30,31)/t6-,7+,8+,9+,10+,11-,12+,13+,14-,15+,16+,17+,18+,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:19]1([OH:28])[CH2:5][O:32][C@H:18]([O:35][C@H:14]2[C@H:7]([NH2:22])[CH2:3][C@H:6]([NH2:21])[C@@H:13]([O:34][C@@H:17]3[C@H:9]([NH2:23])[C@@H:15]([O:36][P:37]([OH:29])([OH:30])=[O:31])[C@H:10]([OH:25])[C@@H:8]([CH2:4][NH2:20])[O:33]3)[C@@H:11]2[OH:26])[C@H:12]([OH:27])[C@H:16]1[NH:24][CH3:2] |
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