The Biofilms Structural Database
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
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
Chiral Atoms
n/a
Bond Count
Aromatic Bond Count
6
Leaving Atoms