SEQ2FUN

BioLiP

PDB CCD ID: A1LZH
Number of entries in BioLiP: 4
Chemical formula: C20 H28 O3
InChI: InChI=1S/C20H28O3/c1-11(2)16-7-13-8-19(10-21)15-6-5-12(3)14(15)9-18(13,4)20(16,19)17(22)23/h7,10-15H,5-6,8-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15-,18-,19+,20-/m1/s1
InChIKey: PREPDMQKKFKALX-JUZOJGAKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C1=C[CH]2C[C]3(C=O)[CH]4CC[CH](C)[CH]4C[C]2(C)[C]13C(O)=O
CACTVS 3.385CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C)[C@]13C(O)=O
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C
OpenEye OEToolkits 2.0.7CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)C
Name:deoxysordaricin
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).