SEQ2FUN

BioLiP

PDB CCD ID: L4R
Number of entries in BioLiP: 0
Chemical formula: C11 H21 N O2
InChI: InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
InChIKey: JWZFECWHKQLRGK-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@](CCCCCCC=C)(C(=O)O)N
CACTVS 3.385C[C](N)(CCCCCCC=C)C(O)=O
OpenEye OEToolkits 2.0.7CC(CCCCCCC=C)(C(=O)O)N
CACTVS 3.385C[C@@](N)(CCCCCCC=C)C(O)=O
Name:Fmoc-(R)-2-(7-octenyl)alanine
ZINC: ZINC000095949883
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).