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219 : Summary
Code ![](/pdbe/static/images/help.png)
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219
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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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cyclohexylmethyl 2-formylphenyl hydrogen (S)-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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C14 H19 O5 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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298.271 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 |
c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O |
SMILES
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CACTVS |
3.385 |
O[P](=O)(OCC1CCCCC1)Oc2ccccc2C=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)C=O)OP(=O)(O)OCC2CCCCC2 |
Canonical SMILES
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CACTVS |
3.385 |
O[P](=O)(OCC1CCCCC1)Oc2ccccc2C=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YBEVTZVQKMYQPM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (20 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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2003-06-20
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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