Chemical Components in the PDB

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C11 : Summary

Code

C11

One-letter code

X

Molecule name

UNDECYL-PHOSPHINIC ACID BUTYL ESTER

Systematic names

ProgramVersionName
ACDLabs 10.04 butyl (R)-undecylphosphinate
OpenEye OEToolkits 1.5.0 1-butoxyphosphonoylundecane

Formula

C15 H33 O2 P

Formal charge

0

Molecular weight

276.395 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCCCC)CCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCC[PH](=O)OCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCP(=O)OCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCCC[P@H](=O)OCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCC[P@H](=O)OCCCC

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
C11

wwPDB Information

Atom count

51 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-10-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned