Chemical Components in the PDB

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32Y : Summary

Code

32Y

One-letter code

X

Molecule name

6-amino-5-iodo-2H-chromen-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-5-iodo-2H-chromen-2-one
OpenEye OEToolkits 1.9.2 6-azanyl-5-iodanyl-chromen-2-one

Formula

C9 H6 I N O2

Formal charge

0

Molecular weight

287.054 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Ic2c(ccc1OC(=O)C=Cc12)N
SMILES CACTVS 3.385 Nc1ccc2OC(=O)C=Cc2c1I
SMILES OpenEye OEToolkits 1.9.2 c1cc2c(c(c1N)I)C=CC(=O)O2
Canonical SMILES CACTVS 3.385 Nc1ccc2OC(=O)C=Cc2c1I
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2c(c(c1N)I)C=CC(=O)O2

IUPAC InChI

InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2

IUPAC InChI key

WWRAFPGUBABZSD-UHFFFAOYSA-N
32Y

wwPDB Information

Atom count

19 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-06-04

Last modified at

2014-10-10

Status

Released

Obsoleted

Not Assigned