Chemical Components in the PDB

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OVG : Summary

Code

OVG

One-letter code

X

Molecule name

(6-butoxy-1-benzofuran-3-yl)acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (6-butoxy-1-benzofuran-3-yl)acetic acid
OpenEye OEToolkits 2.0.7 2-(6-butoxy-1-benzofuran-3-yl)ethanoic acid

Formula

C14 H16 O4

Formal charge

0

Molecular weight

248.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(O)Cc2coc1c2ccc(c1)OCCCC
SMILES CACTVS 3.385 CCCCOc1ccc2c(CC(O)=O)coc2c1
SMILES OpenEye OEToolkits 2.0.7 CCCCOc1ccc2c(c1)occ2CC(=O)O
Canonical SMILES CACTVS 3.385 CCCCOc1ccc2c(CC(O)=O)coc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCOc1ccc2c(c1)occ2CC(=O)O

IUPAC InChI

InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)

IUPAC InChI key

SZOTYOZQWWESFH-UHFFFAOYSA-N
OVG

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-09

Last modified at

2019-11-01

Status

Released

Obsoleted

Not Assigned