| Properties | Image |
|---|
| MNX_ID | MNXM1100755 |
 |
| reference | metacycM:CPD-17863 |
| formula | C18H23N6O17P2 |
| global charge | -3 |
| mol weight | 657.355 |
| InChIKey | OLMHNEGKPIVXKZ-LFYUWAPISA-K |
| InChI | InChI=1S/C18H26N6O17P2/c1-4(25)21-6-9(27)10(28)12(16(31)32)39-17(6)40-43(35,36)41-42(33,34)37-2-5-8(26)11(29)15(38-5)24-3-20-7-13(24)22-18(19)23-14(7)30/h3,5-6,8-12,15,17,26-29H,2H2,1H3,(H,21,25)(H,31,32)(H,33,34)(H,35,36)(H3,19,22,23,30)/p-3/t5-,6+,8-,9-,10+,11-,12+,15-,17-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N6O17P2/c1-4(25)21-6-9(27)10(28)12(16(31)32)39-17(6)40-43(35,36)41-42(33,34)37-2-5-8(26)11(29)15(38-5)24-3-20-7-13(24)22-18(19)23-14(7)30/h3,5-6,8-12,15,17,26-29H,2H2,1H3,(H,21,25)(H,31,32)(H,33,34)(H,35,36)(H3,19,22,23,30)/t5-,6+,8-,9-,10+,11-,12+,15-,17-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:4](=[N:21][C@H:6]1[C@@H:9]([OH:27])[C@H:10]([OH:28])[C@@H:12]([C:16](=[O:31])[OH:32])[O:39][C@@H:17]1[O:40][P:43]([OH:35])(=[O:36])[O:41][P:42]([OH:33])(=[O:34])[O:37][CH2:2][C@@H:5]1[C@@H:8]([OH:26])[C@@H:11]([OH:29])[C@H:15]([N:24]2[CH:3]=[N:20][C:7]3=[C:13]2[NH:22][C:18](=[NH:19])[N:23]=[C:14]3[OH:30])[O:38]1)[OH:25] |
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