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- ChemComp-RPG: (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: RPG
NameName: (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
Synonyms: PROSTAGLANDIN A1 (PGA1)

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Chemical information

Composition
Formula: C20H32O4 / Number of atoms: 56 / Formula weight: 336.466 / Formal charge: 0
Others

5y41

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RPG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Y41
History
Create componentAug 17, 2017
Initial releaseDec 26, 2018
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / HMDB / LipidMaps / Metabolights / 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 3.385CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1

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InChIKey

InChI 1.03BGKHCLZFGPIKKU-LDDQNKHRSA-N

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PDB entries

Showing all 1 items

PDB-5y41:
Crystal Structure of LIGAND-BOUND NURR1-LBD

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