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PXP : Summary
Code
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PXP
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One-letter code
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X
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Molecule name
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PYRIDOXINE-5'-PHOSPHATE
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Systematic names
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Formula
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C8 H12 N O6 P
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Formal charge
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0
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Molecular weight
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249.158 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCc1cnc(c(O)c1CO)C |
SMILES
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CACTVS |
3.341 |
Cc1ncc(CO[P](O)(O)=O)c(CO)c1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c(c(cn1)COP(=O)(O)O)CO)O |
Canonical SMILES
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CACTVS |
3.341 |
Cc1ncc(CO[P](O)(O)=O)c(CO)c1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c(c(cn1)COP(=O)(O)O)CO)O |
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IUPAC InChI | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) |
IUPAC InChI key | WHOMFKWHIQZTHY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2000-12-12
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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