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BioLiP

PDB CCD ID: V7N
Number of entries in BioLiP: 439
Chemical formula: C41 H54 O4
InChI: InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29-
InChIKey: XLPMAXZHNMJTID-YBNWOPDJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O
CACTVS 3.385COC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/CC/C=C(C)/C=C/C=C(C)/C(O)=O
OpenEye OEToolkits 2.0.7CC(=CC=CC(=CC=CC=C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)C)CCC=C(C)C=CC=C(C)C(=O)O
CACTVS 3.385COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O
Name:(2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid
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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