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BioLiP

PDB CCD ID: 1E3
Number of entries in BioLiP: 0
Chemical formula: C9 H20 N2 O2
InChI: InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1
InChIKey: KEBGMMXWUKWKGB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCCCCCCC[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCCCCCN
OpenEye OEToolkits 1.7.6C(CCC[C@@H](C(=O)O)N)CCCN
CACTVS 3.370NCCCCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6C(CCCC(C(=O)O)N)CCCN
Name:(2S)-2,9-diaminononanoic acid
ZINC: ZINC000098207957
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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