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BioLiP

PDB CCD ID: FTT
Number of entries in BioLiP: 0
Chemical formula: C14 H28 O3
InChI: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKey: ATRNZOYKSNPPBF-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCC[C@@H](O)CC(O)=O
CACTVS 3.370CCCCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(CC(=O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCC[C@H](CC(=O)O)O
ACDLabs 12.01O=C(O)CC(O)CCCCCCCCCCC
Name:3-HYDROXY-TETRADECANOIC ACID;
3-HYDROXY-MYRISTIC ACID
ChEMBL: CHEMBL1232858
DrugBank: DB02767
ZINC: ZINC000002039069
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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