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BioLiP

PDB CCD ID: 3LA
Number of entries in BioLiP: 2
Chemical formula: C12 H22 O3
InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
InChIKey: DZHSPYMHDVROSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCCCCCCCCC(=O)CC(=O)O
CACTVS 3.352CCCCCCCCCC(=O)CC(O)=O
ACDLabs 10.04O=C(CCCCCCCCC)CC(=O)O
Name:3-OXODODECANOIC ACID;
3-OXO-LAURIC ACID
ZINC: ZINC000001529423
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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