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TZP : Summary
Code
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TZP
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One-letter code
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X
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Molecule name
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4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE
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Systematic names
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Formula
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C6 H10 N O4 P S
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Formal charge
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0
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Molecular weight
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223.187 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OCCc1scnc1C)(O)O |
SMILES
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CACTVS |
3.341 |
Cc1ncsc1CCO[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(scn1)CCOP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
Cc1ncsc1CCO[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(scn1)CCOP(=O)(O)O |
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IUPAC InChI | InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10) |
IUPAC InChI key | OCYMERZCMYJQQO-UHFFFAOYSA-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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2000-11-15
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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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