Chemical Components in the PDB

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FLV : Summary

Code

FLV

One-letter code

X

Molecule name

FLAVIOLIN

Systematic names

ProgramVersionName
ACDLabs 10.04 2,5,7-trihydroxynaphthalene-1,4-dione
OpenEye OEToolkits 1.5.0 2,5,7-trihydroxynaphthalene-1,4-dione

Formula

C10 H6 O5

Formal charge

0

Molecular weight

206.152 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2
SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O
Canonical SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O

IUPAC InChI

InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H

IUPAC InChI key

RROPNRTUMVVUED-UHFFFAOYSA-N
FLV

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

2004-06-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned