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BioLiP

PDB CCD ID: SBT
Number of entries in BioLiP: 6
Chemical formula: C4 H10 O
InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKey: BTANRVKWQNVYAZ-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(C)O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC[C@H](C)O
CACTVS 3.341CC[CH](C)O
ACDLabs 10.04OC(C)CC
Name:2-BUTANOL
ZINC: ZINC000001850884
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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