Chemical Components in the PDB

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RDH : Summary

Code

RDH

One-letter code

X

Molecule name

3-[(1-Carboxyvinyl)oxy]benzoic acid

Synonyms

3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid

Formula

C10 H8 O5

Formal charge

0

Molecular weight

208.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)C(=C)Oc1cccc(c1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C=C(C(=O)O)Oc1cccc(c1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C(=C)Oc1cccc(c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C=C(C(=O)O)Oc1cccc(c1)C(=O)O

IUPAC InChI

InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)

IUPAC InChI key

HGVAHYJMDVROLE-UHFFFAOYSA-N
RDH

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-25

Last modified at

2021-10-01

Status

Released

Obsoleted

Not Assigned