| Properties | Image |
MNX_ID | MNXM52809 |
 |
reference | chebi:62908 |
formula | C12H20N5O14P3 |
global charge | 0 |
mol weight | 551.235 |
InChIKey | QBYKUCPYDXEFEZ-IOSLPCCCSA-N |
InChI | InChI=1S/C12H20N5O14P3/c1-2-27-32(21,22)30-34(25,26)31-33(23,24)28-3-5-7(18)8(19)11(29-5)17-4-14-6-9(17)15-12(13)16-10(6)20/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H3,13,15,16,20)/t5-,7-,8-,11-/m1/s1 |
SMILES | CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)NC3=O)[C@H](O)[C@@H]1O |
MNX internals
InChI (mnx) | InChI=1/C12H20N5O14P3/c1-2-27-32(21,22)30-34(25,26)31-33(23,24)28-3-5-7(18)8(19)11(29-5)17-4-14-6-9(17)15-12(13)16-10(6)20/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H3,13,15,16,20)/t5-,7-,8-,11-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:2][O:27][P:32]([OH:21])(=[O:22])[O:30][P:34]([OH:25])(=[O:26])[O:31][P:33]([OH:23])(=[O:24])[O:28][CH2:3][C@@H:5]1[C@@H:7]([OH:18])[C@@H:8]([OH:19])[C@H:11]([N:17]2[CH:4]=[N:14][C:6]3=[C:9]2[NH:15][C:12](=[NH:13])[N:16]=[C:10]3[OH:20])[O:29]1 |
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