Chemical Components in the PDB

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C2Z : Summary

Code

C2Z

One-letter code

X

Molecule name

5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid

Synonyms

[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
OpenEye OEToolkits 1.9.2 [5-(5-oxidanyl-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

Formula

C7 H6 N O6 P

Formal charge

0

Molecular weight

231.099 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OP(c1ccc(o1)c2cc(O)on2)(O)=O
SMILES CACTVS 3.385 Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.9.2 c1cc(oc1c2cc(on2)O)P(=O)(O)O
Canonical SMILES CACTVS 3.385 Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(oc1c2cc(on2)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)

IUPAC InChI key

BRLJHMCTDKAUAY-UHFFFAOYSA-N
C2Z

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

2015-04-27

Last modified at

2016-03-04

Status

Released

Obsoleted

Not Assigned