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BioLiP

PDB CCD ID: 4IF
Number of entries in BioLiP: 1
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/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKey: UWHZIFQPPBDJPM-FPLPWBNLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCCCC(=O)O
CACTVS 3.385CCCCCC\C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC=CCCCCCCCCCC(=O)O
CACTVS 3.385CCCCCCC=CCCCCCCCCCC(O)=O
Name:cis-vaccenic acid
ChEMBL: CHEMBL1236642
DrugBank: DB04801
ZINC: ZINC000014881303
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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