Chemical Components in the PDB

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YTP : Summary

Code

YTP

One-letter code

X

Molecule name

1-(4-hydroxy-3-methylphenyl)ethanone

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(4-hydroxy-3-methylphenyl)ethanone
OpenEye OEToolkits 1.7.0 1-(4-hydroxy-3-methyl-phenyl)ethanone

Formula

C9 H10 O2

Formal charge

0

Molecular weight

150.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc(O)c(c1)C)C
SMILES CACTVS 3.370 CC(=O)c1ccc(O)c(C)c1
SMILES OpenEye OEToolkits 1.7.0 Cc1cc(ccc1O)C(=O)C
Canonical SMILES CACTVS 3.370 CC(=O)c1ccc(O)c(C)c1
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1cc(ccc1O)C(=O)C

IUPAC InChI

InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3

IUPAC InChI key

LXBHHIZIQVZGFN-UHFFFAOYSA-N
YTP

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-09-07

Last modified at

2011-08-26

Status

Released

Obsoleted

Not Assigned