Chemical Components in the PDB

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GD7 : Summary

Code

GD7

One-letter code

X

Molecule name

(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-1,2,2-trimethylpropyl (R)-methylphosphinate
OpenEye OEToolkits 1.5.0 (3R)-2,2-dimethyl-3-methylphosphonoyloxy-butane

Formula

C7 H17 O2 P

Formal charge

0

Molecular weight

164.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC(C)C(C)(C)C)C
SMILES CACTVS 3.341 C[CH](O[PH](C)=O)C(C)(C)C
SMILES OpenEye OEToolkits 1.5.0 CC(C(C)(C)C)OP(=O)C
Canonical SMILES CACTVS 3.341 C[C@@H](O[P@H](C)=O)C(C)(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C(C)(C)C)O[P@@H](=O)C

IUPAC InChI

InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1

IUPAC InChI key

QZUGWOMGKDLYKO-ZCFIWIBFSA-N
GD7

wwPDB Information

Atom count

27 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-07-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned