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5TX : Summary
Code
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5TX
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One-letter code
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X
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Molecule name
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((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
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Systematic names
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Formula
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C5 H10 N O6 P
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Formal charge
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0
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Molecular weight
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211.11 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.4 |
CC1(CC(N(C1=O)O)O)P(=O)(O)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O |
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IUPAC InChI | InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1 |
IUPAC InChI key | VVBLYPMICKYZTP-UCORVYFPSA-N |
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wwPDB Information |
Atom count
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23 (13 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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2015-12-01
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Last modified at
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2016-11-18
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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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