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BioLiP

PDB CCD ID: A1H6M
Number of entries in BioLiP: 2
Chemical formula: C22 H30 O
InChI: InChI=1S/C22H30O/c1-17(15-20-9-5-8-19(16-20)12-14-23)10-11-21-18(2)7-6-13-22(21,3)4/h10-12,14-16H,5-9,13H2,1-4H3/b11-10+,17-15+,19-12+
InChIKey: FOYUFPJPFUUNOX-ZRTTZBFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)/C=C/C(=C/C2=C/C(=C/C=O)/CCC2)/C
CACTVS 3.385CC(\C=C\C1=C(C)CCCC1(C)C)=C/C2=C/C(CCC2)=C/C=O
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC2=CC(=CC=O)CCC2)C
CACTVS 3.385CC(C=CC1=C(C)CCCC1(C)C)=CC2=CC(CCC2)=CC=O
Name:11,20-Ethanoretinal;
(2E)-2-[3-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]ethanal;
Retinal 6.11
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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