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BioLiP

PDB CCD ID: A1LWM
Number of entries in BioLiP: 3
Chemical formula: C29 H43 N O4
InChI: InChI=1S/C29H43NO4/c1-7-22(8-2)15-14-16-23(9-3)19-20(5)26(31)25(10-4)28(32)30-21(6)27(34-29(30)33)24-17-12-11-13-18-24/h7,11-13,16-18,20-21,25-27,31H,8-10,14-15,19H2,1-6H3/b22-7+,23-16+/t20-,21?,25?,26?,27?/m0/s1
InChIKey: GIEHXLSOYWFSMM-FYYHNBHTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C
CACTVS 3.385CCC(C(O)[CH](C)CC(CC)=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc2
CACTVS 3.385CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C/C)C(=O)N1C(C)C(OC1=O)c2ccccc2
OpenEye OEToolkits 2.0.7CC[C@H]([C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C
Name:(4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-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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