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BioLiP

PDB CCD ID: IQT
Number of entries in BioLiP: 1
Chemical formula: C25 H39 N O5
InChI: InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1
InChIKey: OXOAWIMFJLEQMT-JFWAKSGWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCC[C@H]1O[C@H]1C\C=C\C=C/[C@H](O)CC(=O)NC2=C[C@](C)(CC)OC2=O
OpenEye OEToolkits 2.0.7CCCCCCCC[C@@H]1[C@@H](O1)CC=CC=C[C@@H](CC(=O)NC2=C[C@](OC2=O)(C)CC)O
OpenEye OEToolkits 2.0.7CCCCCCCCC1C(O1)CC=CC=CC(CC(=O)NC2=CC(OC2=O)(C)CC)O
CACTVS 3.385CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O
Name:Korormicin
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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