Chemical Components in the PDB

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CP5 : Summary

Code

CP5

One-letter code

X

Molecule name

(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate
OpenEye OEToolkits 1.5.0 (Z)-2-phenyl-3-phosphooxy-prop-2-enoate

Formula

C9 H6 O5 P

Formal charge

-1

Molecular weight

225.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C([O-])\C(=C/OP(=O)=O)c1ccccc1
SMILES CACTVS 3.385 [O-]C(=O)C(=CO[P](=O)=O)c1ccccc1
SMILES OpenEye OEToolkits 1.7.5 c1ccc(cc1)C(=COP(=O)=O)C(=O)[O-]
Canonical SMILES CACTVS 3.385 [O-]C(=O)C(=C\O[P](=O)=O)/c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.5 c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-]

IUPAC InChI

InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-

IUPAC InChI key

WSMRUPUEYOBWRC-VURMDHGXSA-M
CP5

wwPDB Information

Atom count

21 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-03-03

Last modified at

2012-01-05

Status

Released

Obsoleted

Not Assigned