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BioLiP

PDB CCD ID: SAX
Number of entries in BioLiP: 3
Chemical formula: C19 H30 O4
InChI: InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-15-23-17-14-12-13-16(20)18(17)19(21)22/h12-14,20H,2-11,15H2,1H3,(H,21,22)
InChIKey: HMYWVVRALHTQJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCCCCCCCCOc1cccc(c1C(=O)O)O
CACTVS 3.370CCCCCCCCCCCCOc1cccc(O)c1C(O)=O
ACDLabs 12.01O=C(O)c1c(O)cccc1OCCCCCCCCCCCC
Name:2-(dodecyloxy)-6-hydroxybenzoic acid
ChEMBL: CHEMBL98784
ZINC: ZINC000038155534
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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