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BioLiP

PDB CCD ID: EOD
Number of entries in BioLiP: 1
Chemical formula: C18 H34 O3
InChI: InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKey: AHXFZOAYPPCFEB-DLBZAZTESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCC1C(O1)CCCCCCCCCCC(=O)O
CACTVS 3.341CCCCC[CH]1O[CH]1CCCCCCCCCCC(O)=O
CACTVS 3.341CCCCC[C@@H]1O[C@@H]1CCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCC1OC1CCCCC
Name:11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID;
(+-)-CIS-12,13-EPOXY-9(Z)-OCTADECANOIC ACID;
LEUKOTOXIN B;
(+-)-VERNOLIC ACID
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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