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BioLiP Library

PDB CCD ID: 4WQ
Number of entries in BioLiP: 0
Chemical formula: C10 H21 N O2
InChI: InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKey: LDROFNYSJLCCKR-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)(C)CCCCC(C(=O)O)N
OpenEye OEToolkits 1.9.2CC(C)(C)CCCC[C@@H](C(=O)O)N
ACDLabs 12.01NC(C(=O)O)CCCCC(C)(C)C
CACTVS 3.385CC(C)(C)CCCC[C@H](N)C(O)=O
CACTVS 3.385CC(C)(C)CCCC[CH](N)C(O)=O
Name:(2S)-2-amino-7,7-dimethyloctanoic 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)(download the PDF file).
  • 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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