Chemical Components in the PDB

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EFS : Summary

Code

EFS

One-letter code

X

Molecule name

ETHYL DIHYDROGEN PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 ethyl dihydrogen phosphate

Formula

C2 H7 O4 P

Formal charge

0

Molecular weight

126.048 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC
SMILES CACTVS 3.341 CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(O)O
Canonical SMILES CACTVS 3.341 CCO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(O)O

IUPAC InChI

InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)

IUPAC InChI key

ZJXZSIYSNXKHEA-UHFFFAOYSA-N
EFS

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-04-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned