BioLiP

PDB

BioLiP

PDB CCD ID:

BUD

Number of entries in BioLiP:

Chemical formula:

C4 H10 O2

InChI:

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1

InChIKey:

OWBTYPJTUOEWEK-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@@H]([C@H](C)O)O
CACTVS 3.370	C[C@H](O)[C@H](C)O
ACDLabs 12.01	OC(C)C(O)C
OpenEye OEToolkits 1.7.0	CC(C(C)O)O
CACTVS 3.370	C[CH](O)[CH](C)O

Name:

(2S,3S)-butane-2,3-diol

ZINC:

ZINC000000901619

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).