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BioLiP

PDB CCD ID: X90
Number of entries in BioLiP: 5
Chemical formula: C17 H34 O2
InChI: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCC(O)=O
Name:heptadecanoic acid
ChEMBL: CHEMBL1172910
ZINC: ZINC000024805047
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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