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PLP : Summary
Code 
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PLP
|
One-letter code 
|
X
|
Molecule name 
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PYRIDOXAL-5'-PHOSPHATE
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Synonyms 
|
VITAMIN B6 Phosphate
|
Systematic names 
|
|
Formula 
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C8 H10 N O6 P
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Formal charge 
|
0
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Molecular weight 
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247.142 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)OCc1cnc(c(O)c1C=O)C |
SMILES
|
CACTVS |
3.341 |
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O |
|
IUPAC InChI  | InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) |
IUPAC InChI key  | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
Is part of  |
0PR
, VB4
|
|
wwPDB Information |
Atom count 
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26 (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 
|
HETAIN
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Is modified 
|
No
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Standard parent 
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Not Assigned
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Defined at 
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1999-07-08
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Last modified at 
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2021-03-01
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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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