+Open data
-Basic information
Entry | Database: PDB chemical components / ID: T25 |
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Name | Name: ( Synonyms: 12R,13S-epoxy-9(Z)-octadecenoic acid |
-Chemical information
Composition | Formula: C18H32O3 / Number of atoms: 53 / Formula weight: 296.445 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: T25 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RCL | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 3 items
PDB-2rcl:
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A resolution
PDB-3dsk:
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution
PDB-4cq6:
The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound inhibitor - vernolic acid