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BioLiP

PDB CCD ID: X9E
Number of entries in BioLiP: 1
Chemical formula: C29 H43 N O5
InChI: InChI=1S/C29H43NO5/c1-7-22(14-13-17-29(9-3)21(6)35-29)18-19(4)25(31)24(8-2)27(32)30-20(5)26(34-28(30)33)23-15-11-10-12-16-23/h10-12,14-16,19-21,24-26,31H,7-9,13,17-18H2,1-6H3/b22-14-/t19?,20?,21-,24?,25?,26?,29-/m1/s1
InChIKey: MAKHZPRKABYPIS-LKCQFNNRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(C(C(C)C/C(=C\CC[C@@]1([C@H](O1)C)CC)/CC)O)C(=O)N2C(C(OC2=O)c3ccccc3)C
CACTVS 3.385CCC(C(O)C(C)C\C(CC)=C/CC[C@@]1(CC)O[C@@H]1C)C(=O)N2C(C)C(OC2=O)c3ccccc3
OpenEye OEToolkits 2.0.7CCC(C(C(C)CC(=CCCC1(C(O1)C)CC)CC)O)C(=O)N2C(C(OC2=O)c3ccccc3)C
CACTVS 3.385CCC(C(O)C(C)CC(CC)=CCC[C]1(CC)O[CH]1C)C(=O)N2C(C)C(OC2=O)c3ccccc3
Name:(4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one
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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