| Properties | Image |
|---|
| MNX_ID | MNXM12839 |
 |
| reference | metacycM:QUINOLINATE_NUCLEOTIDE |
| formula | C12H11NO11P |
| global charge | -3 |
| mol weight | 376.19 |
| InChIKey | BRYXMUKJBTTYHL-UHFFFAOYSA-K |
| InChI | InChI=1S/C12H14NO11P/c14-8-6(4-23-25(20,21)22)24-10(9(8)15)13-3-1-2-5(11(16)17)7(13)12(18)19/h1-3,6,8-10,14-15H,4H2,(H3-,16,17,18,19,20,21,22)/p-3 |
| SMILES | O=C([O-])C1=C(C(=O)[O-])[N+](C2OC(COP(=O)([O-])[O-])C(O)C2O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H14NO11P/c14-8-6(4-23-25(20,21)22)24-10(9(8)15)13-3-1-2-5(11(16)17)7(13)12(18)19/h1-3,6,8-10,14-15H,4H2,(H3-,16,17,18,19,20,21,22)/t6?,8?,9?,10? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:5]([C:11](=[O:16])[OH:17])=[C:7]([C:12](=[O:18])[OH:19])[N+:13]([CH:10]2[CH:9]([OH:15])[CH:8]([OH:14])[CH:6]([CH2:4][O:23][P:25]([OH:20])([O-:21])=[O:22])[O:24]2)=[CH:3]1 |
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