SEQ2FUN

BioLiP

PDB CCD ID: DH7
Number of entries in BioLiP: 1
Chemical formula: C30 H46
InChI: InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+
InChIKey: PALVLARMLPXARO-HCTXVGCHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C
OpenEye OEToolkits 1.7.0CC(=CCCC(=CCCC(=C=CC=C=C(C)CCC=C(C)CCC=C(C)C)C)C)C
CACTVS 3.370CC(C)=CCCC(C)=CCC[C](C)=[C]=[CH][CH]=[C]=[C](C)CCC=C(C)CCC=C(C)C
CACTVS 3.370CC(C)=CCCC(/C)=C/CC[C](C)=[C@@]=[CH][CH]=[C@]=[C](C)CC\C=C(/C)CCC=C(C)C
ACDLabs 12.01C(=C(\C)CC\C=C(/C)CC\C=C(/C)C)=C\C=C=C(/C)CC/C=C(\C)CC\C=C(/C)C
Name:(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene;
dehydrosqualene
ZINC: ZINC000058632202
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).