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BioLiP

PDB CCD ID: FGM
Number of entries in BioLiP: 1
Chemical formula: C19 H38 O3
InChI: InChI=1S/C19H38O3/c1-3-5-7-9-10-11-12-14-16-18(20)17(19(21)22)15-13-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m1/s1
InChIKey: OYDUHHOWTJLUGL-QZTJIDSGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O
OpenEye OEToolkits 1.7.2CCCCCCCCCCC(C(CCCCCC)C(=O)O)O
OpenEye OEToolkits 1.7.2CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O
CACTVS 3.370CCCCCCCCCC[CH](O)[CH](CCCCCC)C(O)=O
ACDLabs 12.01O=C(O)C(CCCCCC)C(O)CCCCCCCCCC
Name:(2R,3R)-2-hexyl-3-hydroxytridecanoic acid
ZINC: ZINC000098208884
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)(download the PDF file).
  • 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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