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LCS : Summary
Code ![](/pdbe/static/images/help.png)
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LCS
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H14 N3 O7 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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331.219 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2 |
SMILES
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CACTVS |
3.370 |
Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O |
Canonical SMILES
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CACTVS |
3.370 |
Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KFCQHWOGBVCKHR-UKTHLTGXSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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1999-11-17
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Last modified at ![](/pdbe/static/images/help.png)
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2011-07-21
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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