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BioLiP

PDB CCD ID: A1L01
Number of entries in BioLiP: 4
Chemical formula: C24 H46 O4
InChI: InChI=1S/C24H46O4/c1-3-5-7-9-11-12-14-15-17-19-22(21-23(25)26)28-24(27)20-18-16-13-10-8-6-4-2/h22H,3-21H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKey: WLNJGOIHOQOCJP-QFIPXVFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCC
CACTVS 3.385CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC
CACTVS 3.385CCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCCCC
Name:(3~{S})-3-decanoyloxytetradecanoic 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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