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BioLiP

PDB CCD ID: 1AG
Number of entries in BioLiP: 0
Chemical formula: C23 H38 O4
InChI: InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1
InChIKey: DCPCOKIYJYGMDN-HUDVFFLJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 1.7.0CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.0CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O
CACTVS 3.370CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Name:(2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
ChEMBL: CHEMBL124426
ZINC: ZINC000004654971
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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