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BioLiP

PDB CCD ID: LNL
Number of entries in BioLiP: 13
Chemical formula: C18 H30 O2
InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC
CACTVS 3.341CCC=CCC=CCC=CCCCCCCCC(O)=O
CACTVS 3.341CC\C=C/C/C=C\C\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CC\C=C/CCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCCCCCCCC(=O)O
Name:ALPHA-LINOLENIC ACID
ChEMBL: CHEMBL8739
DrugBank: DB00132
ZINC: ZINC000003802189
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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