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BioLiP

PDB CCD ID: 1NB
Number of entries in BioLiP: 1
Chemical formula: C10 H16 O2
InChI: InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1
InChIKey: NEWBFDLFXDTFGD-AEJSXWLSSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CC(C/C=C)C1CCCC1O
CACTVS 3.341O[CH]1CCC[CH]1[CH](CC=C)C=O
CACTVS 3.341O[C@H]1CCC[C@@H]1[C@@H](CC=C)C=O
OpenEye OEToolkits 1.5.0C=CCC(C=O)C1CCCC1O
OpenEye OEToolkits 1.5.0C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O
Name:2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL;
GR143783
DrugBank: DB06901
ZINC: ZINC000003872725
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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