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BioLiP

PDB CCD ID: Y39
Number of entries in BioLiP: 3
Chemical formula: C13 H24 O2
InChI: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKey: GVGYASDUOPEXET-RYUDHWBXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCC[C@H]1C[C@@H]1C(O)=O
OpenEye OEToolkits 1.9.2CCCCCCCCC[C@H]1C[C@@H]1C(=O)O
OpenEye OEToolkits 1.9.2CCCCCCCCCC1CC1C(=O)O
CACTVS 3.385CCCCCCCCC[CH]1C[CH]1C(O)=O
ACDLabs 12.01O=C(O)C1CC1CCCCCCCCC
Name:(1S,2S)-2-nonylcyclopropanecarboxylic acid
ZINC: ZINC000060025617
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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