SEQ2FUN

BioLiP

PDB CCD ID: II6
Number of entries in BioLiP: 1
Chemical formula: C9 H19 N O
InChI: InChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1
InChIKey: OCRWQOBBCGSFAT-HRDYMLBCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H]1C[C@H](CN)C[C@H](CO)C1
OpenEye OEToolkits 1.7.6C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN
CACTVS 3.385C[CH]1C[CH](CN)C[CH](CO)C1
OpenEye OEToolkits 1.7.6CC1CC(CC(C1)CO)CN
Name:[(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol
ZINC: ZINC000004713437
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).