SEQ2FUN

BioLiP

PDB CCD ID: RCL
Number of entries in BioLiP: 3
Chemical formula: C18 H34 O3
InChI: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m1/s1
InChIKey: WBHHMMIMDMUBKC-XLNAKTSKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCC(CC=CCCCCCCCC(=O)O)O
ACDLabs 10.04O=C(O)CCCCCCC/C=C/CC(O)CCCCCC
CACTVS 3.341CCCCCC[C@@H](O)C/C=C/CCCCCCCC(O)=O
CACTVS 3.341CCCCCC[CH](O)CC=CCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O
Name:RICINOLEIC ACID
ChEMBL: CHEMBL1235634
ZINC: ZINC000003875925
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).