The Biofilms Structural Database
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The Biofilms Structural Database |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
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|---|---|
2WKA |
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Code
P89 | |
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Name |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
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Molecular Weight |
414.43 |
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Isomeric SMILES |
CCCCCCCCCC(=O)C\N=C\c1c(COP(O)(O)=O)cnc(C)c1O |
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Formula |
C19H31N2O6P |
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Identifiers |
[6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
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Formal Charge |
0 |
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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+ |
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Atom Count |
59 |
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InChIKey |
NFGPSQDCIMWBHR-DEDYPNTBSA-N |
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PDB codes |
2WKA |
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Type |
NON-POLYMER |
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Chiral Atom Count |
0 |
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Chiral Atoms |
n/a |
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Bond Count |
59 |
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Aromatic Bond Count |
6 |
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Leaving Atoms |
n/a |