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BioLiP

PDB CCD ID: 1IC
Number of entries in BioLiP: 0
Chemical formula: C11 H21 N O4
InChI: InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKey: QQWGFKGHHSBYPK-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OCC(C(=O)O)N
ACDLabs 12.01OC(=O)C(N)COC(=O)CCCCCCC
CACTVS 3.385CCCCCCCC(=O)OC[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OC[C@H](C(=O)O)N
CACTVS 3.385CCCCCCCC(=O)OC[CH](N)C(O)=O
Name:O-octanoyl-D-serine
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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