The Biofilms Structural Database |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
|
---|---|
2WKA |
|
Code
P89 | |
Name |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
Molecular Weight |
414.43 |
Isomeric SMILES |
CCCCCCCCCC(=O)C\N=C\c1c(COP(O)(O)=O)cnc(C)c1O |
Formula |
C19H31N2O6P |
Identifiers |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
Formal Charge |
0 |
InChI |
InChI=1S/C19H31N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,23H,3-10,12,14H2,1-2H3,(H2,24,25,26)/b20-13+ |
Atom Count |
59 |
InChIKey |
NFGPSQDCIMWBHR-DEDYPNTBSA-N |
PDB codes |
2WKA |
Type |
NON-POLYMER |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
59 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |