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- ChemComp-XIS: 4-diphenylphosphanylbenzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: XIS
NameName: 4-diphenylphosphanylbenzoic acid

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Chemical information

Composition
Formula: C19H15O2P / Number of atoms: 37 / Formula weight: 306.295 / Formal charge: 0
Others

6iq4

Type: non-polymer / PDB classification: HETAIN / Three letter code: XIS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6IQ4
History
Create componentOct 17, 2019
Initial releaseOct 30, 2019
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC(=O)c1ccc(cc1)P(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccc(cc1)P(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O

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InChI

InChI 1.03InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)

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InChIKey

InChI 1.03GXMHDTPYKRTARV-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6iq4:
Nucleosome core particle cross-linked with a hetero-binuclear molecule possessing RAPTA and gold(I) 4-(diphenylphosphino)benzoic acid groups.

PDB-8q3x:
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound)

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