Chemical Components in the PDB

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ZQT : Summary

Code

ZQT

One-letter code

X

Molecule name

9H-xanthene-1,3,6,8-tetrol

Systematic names

ProgramVersionName
ACDLabs 12.01 9H-xanthene-1,3,6,8-tetrol
OpenEye OEToolkits 2.0.7 9~{H}-xanthene-1,3,6,8-tetrol

Formula

C13 H10 O5

Formal charge

0

Molecular weight

246.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21
SMILES CACTVS 3.385 Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
SMILES OpenEye OEToolkits 2.0.7 c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O
Canonical SMILES CACTVS 3.385 Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O

IUPAC InChI

InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2

IUPAC InChI key

WRWDLBILCDUPOS-UHFFFAOYSA-N
ZQT

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-03

Last modified at

2024-07-12

Status

Released

Obsoleted

Not Assigned