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BioLiP

PDB CCD ID: GCL
Number of entries in BioLiP: 0
Chemical formula: C14 H29 N O2
InChI: InChI=1/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1
InChIKey: KGYZGGUJJIVOQX-MELADBBJBU
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CC(C(C(CC1CCCCC1)N)O)O
CACTVS 3.341CC(C)C[CH](O)[CH](O)[CH](N)CC1CCCCC1
CACTVS 3.341CC(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
ACDLabs 10.04OC(CC(C)C)C(O)C(N)CC1CCCCC1
OpenEye OEToolkits 1.5.0CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O
Name:1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE
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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