| Properties | Image |
|---|
| MNX_ID | MNXM1182863 |
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| reference | envipathM:...2d7510cab81a |
| formula | C10H10N5O14P3 |
| global charge | -4 |
| mol weight | 517.133 |
| InChIKey | PWNKUMMSIVZIQT-SSDLBLMSSA-J |
| InChI | InChI=1S/C10H14N5O14P3/c11-7-6-8(13-3-12-7)15(4-14-6)9(10(17)18)27-5(1-16)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3-5,9H,2H2,(H,17,18)(H,22,23)(H,24,25)(H2,11,12,13)(H2,19,20,21)/p-4/t5-,9+/m0/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@H](O[C@@H](C=O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C10H14N5O14P3/c11-7-6-8(13-3-12-7)15(4-14-6)9(10(17)18)27-5(1-16)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3-5,9H,2H2,(H,17,18)(H,22,23)(H,24,25)(H2,11,12,13)(H2,19,20,21)/t5-,9+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]([C@@H:5]([CH2:2][O:26][P:31]([OH:22])(=[O:23])[O:29][P:32]([OH:24])(=[O:25])[O:28][P:30]([OH:19])([OH:20])=[O:21])[O:27][C@H:9]([C:10](=[O:17])[OH:18])[N:15]1[CH:4]=[N:14][C:6]2=[C:7]([NH2:11])[N:12]=[CH:3][N:13]=[C:8]21)=[O:16] |
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