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BioLiP Library

PDB CCD ID: BNV
Number of entries in BioLiP: 2
Chemical formula: C15 H30 O2
InChI: InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKey: XKLJLHAPJBUBNL-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(C)CCCCCCCCCCC(=O)O
OpenEye OEToolkits 2.0.6CC[C@H](C)CCCCCCCCCCC(=O)O
ACDLabs 12.01C(O)(CCCCCCCCCCC(C)CC)=O
CACTVS 3.385CC[CH](C)CCCCCCCCCCC(O)=O
CACTVS 3.385CC[C@H](C)CCCCCCCCCCC(O)=O
Name:(12S)-12-methyltetradecanoic acid
ZINC: ZINC000002037244
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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