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- ChemComp-RET: RETINAL -

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Basic information

EntryDatabase: PDB chemical components / ID: RET

Yorodumi
NameName: retinal / Type: NON-POLYMER (HETAIN)
Composition
Formula: C20H28O / Number of atoms: 49 / Formula weight: 284.436 / Formal charge: 0
WikipediaWikipedia - Retinal: Retinal is also known as retinaldehyde. It was originally called retinene, and renamed after it was discovered to be vitamin A aldehyde...
DateCreate component: Jul 8, 1999 / Other modification: Dec 3, 2010 / Modify descriptor: Jun 4, 2011
External linksTOXNET,NIH / PubChem

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C

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SMILES CANONICAL

CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C

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InChI

InChI 1.03InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

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InChIKey

InChI 1.03NCYCYZXNIZJOKI-OVSJKPMPSA-N

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SYSTEMATIC NAME

ACDLabs 12.01retinal
OpenEye OEToolkits 1.7.0(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

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