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BioLiP

PDB CCD ID: ELA
Number of entries in BioLiP: 25
Chemical formula: C18 H34 O2
InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCC/C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C\CCCCCCCC(=O)O
CACTVS 3.341CCCCCCCC/C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)O
Name:9-OCTADECENOIC ACID
ChEMBL: CHEMBL460657
DrugBank: DB04224
ZINC: ZINC000008217338
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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