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BioLiP

PDB CCD ID: IG8
Number of entries in BioLiP: 0
Chemical formula: C10 H20 O3
InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey: FYSSBMZUBSBFJL-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCC[C@@H](O)CC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC[C@H](CC(=O)O)O
CACTVS 3.385CCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCC(CC(=O)O)O
Name:(3~{R})-3-oxidanyldecanoic 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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