Chemical Components in the PDB

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3HP : Summary

Code

3HP

One-letter code

X

Molecule name

3-HYDROXYPHENYLACETATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3-hydroxyphenyl)acetic acid
OpenEye OEToolkits 1.5.0 2-(3-hydroxyphenyl)ethanoic acid

Formula

C8 H8 O3

Formal charge

0

Molecular weight

152.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)Cc1cc(O)ccc1
SMILES CACTVS 3.341 OC(=O)Cc1cccc(O)c1
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)CC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)Cc1cccc(O)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)O)CC(=O)O

IUPAC InChI

InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

IUPAC InChI key

FVMDYYGIDFPZAX-UHFFFAOYSA-N
3HP

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned