SEQ2FUN

BioLiP

PDB CCD ID: 7LE
Number of entries in BioLiP: 4
Chemical formula: C20 H32 O4
InChI: InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1
InChIKey: BLWCDFIELVFRJY-OWQBLLPTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC=CCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O
CACTVS 3.385CCC=CC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 2.0.6CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O
CACTVS 3.385CC\C=C/C[C@@H](O)[C@H](O)C/C=C\C\C=C/C\C=C/CCCC(O)=O
ACDLabs 12.01[C@H](C\C=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O
Name:(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).