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BioLiP

PDB CCD ID: BU9
Number of entries in BioLiP: 5
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
InChIKey: OWBTYPJTUOEWEK-ZXZARUISSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@H]([C@H](C)O)O
ACDLabs 12.01OC(C)C(O)C
OpenEye OEToolkits 1.9.2CC(C(C)O)O
CACTVS 3.385C[CH](O)[CH](C)O
CACTVS 3.385C[C@H](O)[C@@H](C)O
Name:Meso-2,3-Butanediol
DrugBank: DB02418
ZINC: ZINC000012405152
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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