+Open data
-Basic information
Entry | Database: PDB chemical components / ID: HCI | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Phenylpropanoic acid: Phenylpropanoic acid or hydrocinnamic acid is a carboxylic acid with the formula C9H10O2 belonging to the class of phenylpropanoids. It is a white, crystalline solid with a sweet, floral scent at room temperature... | |
-Chemical information
Composition | Formula: C9H10O2 / Number of atoms: 21 / Formula weight: 150.174 / Formal charge: 0 | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HCI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1AHX | ||||||||||
History |
| ||||||||||
External links | Brenda / UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
---|