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BioLiP

PDB CCD ID: CWF
Number of entries in BioLiP: 2
Chemical formula: C9 H19 N O2
InChI: InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey: VXBHEKXWXPQBQM-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H](N)CCCCCCC(O)=O
OpenEye OEToolkits 2.0.7C[C@@H](CCCCCCC(=O)O)N
CACTVS 3.385C[CH](N)CCCCCCC(O)=O
OpenEye OEToolkits 2.0.7CC(CCCCCCC(=O)O)N
Name:(8S)-8-azanylnonanoic acid
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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