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BioLiP

PDB CCD ID: LNG
Number of entries in BioLiP: 0
Chemical formula: C14 H26 O2
InChI: InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-
InChIKey: CPJZLQGGCFWOAA-NTMALXAHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)CCCCCCCC=CCC(=O)O
CACTVS 3.352CC(C)CCCCCCCC=CCC(O)=O
ACDLabs 11.02O=C(O)C\C=C/CCCCCCCC(C)C
OpenEye OEToolkits 1.7.0CC(C)CCCCCCC/C=C\CC(=O)O
CACTVS 3.352CC(C)CCCCCCC\C=C/CC(O)=O
Name:Delta-3isotetradecenoic acid
ZINC: ZINC000098209123
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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