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FOL : Summary
Code 
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FOL
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One-letter code 
|
X
|
Molecule name 
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FOLIC ACID
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Systematic names 
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Formula 
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C19 H19 N7 O6
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Formal charge 
|
0
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Molecular weight 
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441.397 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O |
SMILES
|
CACTVS |
3.341 |
NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)cnc2N1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N |
|
IUPAC InChI  | InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 |
IUPAC InChI key  | OVBPIULPVIDEAO-LBPRGKRZSA-N |
|
wwPDB Information |
Atom count 
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51 (32 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 
|
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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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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