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F0G : Summary
Code
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F0G
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One-letter code
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X
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Molecule name
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(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
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Synonyms
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PLP-Ala
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Systematic names
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Formula
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C11 H15 N2 O7 P
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Formal charge
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0
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Molecular weight
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318.22 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c(c(O)c(\C=N\C(C(O)=O)C)c(COP(O)(O)=O)c1)C |
SMILES
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CACTVS |
3.385 |
C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)C(=O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O |
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IUPAC InChI | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 |
IUPAC InChI key | UPOKXKNJCNHZTH-ASMSWWRESA-N |
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wwPDB Information |
Atom count
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36 (21 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-peptide linking
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Type code
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ATOMP
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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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2018-02-22
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Last modified at
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2020-06-17
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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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