Chemical Components in the PDB

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CYX : Summary

Code

CYX

One-letter code

X

Molecule name

(3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (3-formylbut-3-en-1-yl)phosphonic acid
OpenEye OEToolkits 1.5.0 3-methanoylbut-3-enylphosphonic acid

Formula

C5 H9 O4 P

Formal charge

0

Molecular weight

164.096 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C\C(=C)CCP(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)CCC(=C)C=O
SMILES OpenEye OEToolkits 1.5.0 C=C(CCP(=O)(O)O)C=O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)CCC(=C)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C=C(CCP(=O)(O)O)C=O

IUPAC InChI

InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)

IUPAC InChI key

UBLMBCUBDKMVMQ-UHFFFAOYSA-N
CYX

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-09-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned