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BioLiP

PDB CCD ID: LAX
Number of entries in BioLiP: 1
Chemical formula: C20 H34 O2
InChI: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKey: HOBAELRKJCKHQD-QNEBEIHSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC\C=C/C/C=C\C\C=C/CCCCCCC(O)=O
CACTVS 3.341CCCCCC=CCC=CCC=CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCC=CCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC
Name:EICOSA-8,11,14-TRIENOIC ACID;
DIHOMO-GAMMA-LINOLENIC ACID
ChEMBL: CHEMBL465183
DrugBank: DB00154
ZINC: ZINC000004521470
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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