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C11 : Summary
Code
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C11
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One-letter code
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X
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Molecule name
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UNDECYL-PHOSPHINIC ACID BUTYL ESTER
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Systematic names
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Formula
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C15 H33 O2 P
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Formal charge
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0
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Molecular weight
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276.395 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OCCCC)CCCCCCCCCCC |
SMILES
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CACTVS |
3.341 |
CCCCCCCCCCC[PH](=O)OCCCC |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCP(=O)OCCCC |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCCCCCCC[P@H](=O)OCCCC |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCC[P@H](=O)OCCCC |
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IUPAC InChI | InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3 |
IUPAC InChI key | QCBLJDSWVGAXQB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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51 (18 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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2001-10-29
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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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