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BioLiP

PDB CCD ID: D0G
Number of entries in BioLiP: 2
Chemical formula: C17 H34 O2
InChI: InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKey: FXUKWLSZZHVEJD-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(C)CCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 2.0.6CC[C@H](C)CCCCCCCCCCCCC(=O)O
CACTVS 3.385CC[C@H](C)CCCCCCCCCCCCC(O)=O
ACDLabs 12.01C(CCCCCCCCCCC(C)CC)CC(O)=O
CACTVS 3.385CC[CH](C)CCCCCCCCCCCCC(O)=O
Name:(14S)-14-methylhexadecanoic acid
ZINC: ZINC000004556937
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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