Chemical Components in the PDB

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UVW : Summary

Code

UVW

One-letter code

X

Molecule name

ACETYLPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 acetyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 phosphono ethanoate

Formula

C2 H5 O5 P

Formal charge

0

Molecular weight

140.032 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)

IUPAC InChI key

LIPOUNRJVLNBCD-UHFFFAOYSA-N
UVW

wwPDB Information

Atom count

13 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-25

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned