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BioLiP

PDB CCD ID: 0XQ
Number of entries in BioLiP: 0
Chemical formula: C9 H20 N2 O2
InChI: InChI=1S/C9H20N2O2/c1-9(11,8(12)13)6-4-2-3-5-7-10/h2-7,10-11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey: ZSOMLUKLVIXWFO-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(CCCCCCN)(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)(CCCCCCN)C
CACTVS 3.370C[C](N)(CCCCCCN)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@](CCCCCCN)(C(=O)O)N
CACTVS 3.370C[C@@](N)(CCCCCCN)C(O)=O
Name:(2R)-2,8-diamino-2-methyloctanoic acid
ZINC: ZINC000098207890
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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