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BioLiP

PDB CCD ID: SQA
Number of entries in BioLiP: 3
Chemical formula: C29 H51 N
InChI: InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+
InChIKey: OBYAAZRQFIVRJS-GUUMBNHASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04C(=C(/CCCN(C)C)C)\CCC(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)/C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCCN(C)C)C)C)C
CACTVS 3.341CN(C)CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341CN(C)CCC\C(C)=C\CC\C(C)=C\CC\C=C(C)\CC\C=C(C)\CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C
Name:2-AZASQUALENE;
(4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE
DrugBank: DB03874
ZINC: ZINC000005158550
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)(download the PDF file).
  • 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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