SEQ2FUN

BioLiP

PDB CCD ID: ZI5
Number of entries in BioLiP: 1
Chemical formula: C24 H41 N O2
InChI: InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1
InChIKey: PDGRTYPSRMWVBI-MVYUADCHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCC\C=C/[C@H](C)\C=C/C/C=C\C\C=C/CCCC(=O)N[C@H](C)CO
ACDLabs 12.01CC(NC(=O)CCC/C=C\C/C=C\C\C=C/C(C)/C=C\CCCCC)CO
OpenEye OEToolkits 2.0.7CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO
OpenEye OEToolkits 2.0.7CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)NC(C)CO
CACTVS 3.385CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(=O)N[CH](C)CO
Name:(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
ChEMBL: CHEMBL4208628
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).