Chemical Components in the PDB

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U0W : Summary

Code

U0W

One-letter code

X

Molecule name

5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid

Formula

C15 H14 O4

Formal charge

0

Molecular weight

258.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1oc(COc2ccc3CCCc3c2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2
Canonical SMILES CACTVS 3.385 OC(=O)c1oc(COc2ccc3CCCc3c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2

IUPAC InChI

InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17)

IUPAC InChI key

BQKLXOGKDTYPRT-UHFFFAOYSA-N
U0W

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-16

Last modified at

2022-02-25

Status

Released

Obsoleted

Not Assigned