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BioLiP Library

PDB CCD ID: 6VO
Number of entries in BioLiP: 0
Chemical formula: C9 H21 N O2
InChI: InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1
InChIKey: BLMWTYBDSWORQD-JGVFFNPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C[C@@H]([C@H](C(C)(C)O)O)N
CACTVS 3.385CC(C)C[C@H](N)[C@@H](O)C(C)(C)O
CACTVS 3.385CC(C)C[CH](N)[CH](O)C(C)(C)O
OpenEye OEToolkits 2.0.7CC(C)CC(C(C(C)(C)O)O)N
Name:(3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
ZINC: ZINC000584904898
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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