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BioLiP

PDB CCD ID: A1AI3
Number of entries in BioLiP: 3
Chemical formula: C12 H23 N O4
InChI: InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-11(15)13-10(8-9-14)12(16)17/h10,14H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKey: DFDLFCATYPBJHB-JTQLQIEISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(=O)C(NC(=O)CCCCCCC)CCO
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)NC(CCO)C(=O)O
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)N[C@@H](CCO)C(=O)O
CACTVS 3.385CCCCCCCC(=O)N[CH](CCO)C(O)=O
CACTVS 3.385CCCCCCCC(=O)N[C@@H](CCO)C(O)=O
Name:N-octanoyl-L-homoserine
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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