| Properties | Image |
|---|
| MNX_ID | MNXM11655 |
 |
| reference | metacycM:CPD-10585 |
| formula | C16H21N5O17P2 |
| global charge | -2 |
| mol weight | 617.31 |
| InChIKey | JMGRTSWUCIVEIG-OJHCZBFESA-L |
| InChI | InChI=1S/C16H23N5O17P2/c17-16-19-12-6(13(29)20-16)18-3-21(12)14-10(27)8(25)5(36-14)2-35-39(31,32)38-40(33,34)37-15(30)11(28)9(26)7(24)4(23)1-22/h1,3-5,7-11,14,23-28H,2H2,(H,31,32)(H,33,34)(H3,17,19,20,29)/p-2/t4-,5+,7-,8+,9+,10+,11-,14+/m0/s1 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]2O)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C16H23N5O17P2/c17-16-19-12-6(13(29)20-16)18-3-21(12)14-10(27)8(25)5(36-14)2-35-39(31,32)38-40(33,34)37-15(30)11(28)9(26)7(24)4(23)1-22/h1,3-5,7-11,14,23-28H,2H2,(H,31,32)(H,33,34)(H3,17,19,20,29)/t4-,5+,7-,8+,9+,10+,11-,14+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]([C@@H:4]([C@@H:7]([C@H:9]([C@@H:11]([C:15](=[O:30])[O:37][P:40]([OH:33])(=[O:34])[O:38][P:39]([OH:31])(=[O:32])[O:35][CH2:2][C@@H:5]1[C@@H:8]([OH:25])[C@@H:10]([OH:27])[C@H:14]([N:21]2[CH:3]=[N:18][C:6]3=[C:12]2[NH:19][C:16](=[NH:17])[N:20]=[C:13]3[OH:29])[O:36]1)[OH:28])[OH:26])[OH:24])[OH:23])=[O:22] |
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