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PFS : Summary
Code
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PFS
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One-letter code
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X
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Molecule name
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(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
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Synonyms
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PLATELET ACTIVATING FACTOR
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Systematic names
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Formula
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C26 H54 N O7 P
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Formal charge
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0
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Molecular weight
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523.683 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
[O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C |
SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCCCCOC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCCCCOC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
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IUPAC InChI | InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1 |
IUPAC InChI key | HVAUUPRFYPCOCA-AREMUKBSSA-N |
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wwPDB Information |
Atom count
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89 (35 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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2004-07-15
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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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