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- ChemComp-HPP: HYDROXYPHENYL PROPIONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HPP
NameName: hydroxyphenyl propionic acid

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Chemical information

Composition
Formula: C9H10O3 / Number of atoms: 22 / Formula weight: 166.174 / Formal charge: 0
Others

2tpl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HPP / Model coordinates PDB-ID: 2TPL
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)CCc1ccc(O)cc1
CACTVS 3.341OC(=O)CCc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)

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InChIKey

InChI 1.03NMHMNPHRMNGLLB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(4-hydroxyphenyl)propanoic acid
OpenEye OEToolkits 1.5.03-(4-hydroxyphenyl)propanoic acid

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PDB entries

Showing all 5 items

PDB-2tpl:
TYROSINE PHENOL-LYASE FROM CITROBACTER INTERMEDIUS COMPLEX WITH 3-(4'-HYDROXYPHENYL)PROPIONIC ACID, PYRIDOXAL-5'-PHOSPHATE AND CS+ ION

PDB-3ggp:
Crystal structure of prephenate dehydrogenase from A. aeolicus in complex with hydroxyphenyl propionate and NAD+

PDB-5sxf:
Crystal Structure of PI3Kalpha in complex with fragment 9

PDB-5whl:
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid

PDB-8vmk:
A crystal structure of heme-dependent tyrosine hydroxylase complexed with a substrate analog, 3-(4-hydroxyphenyl)propionic acid

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