BioLiP

PDB

BioLiP

PDB CCD ID:

OIZ

Number of entries in BioLiP:

Chemical formula:

C6 H9 Cl O3

InChI:

InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1

InChIKey:

CGZQOMOYCGJBIC-UNTFVMJOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CC(C(C(C1O)O)O)Cl
OpenEye OEToolkits 2.0.7	C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)Cl
CACTVS 3.385	O[CH]1C=C[CH](Cl)[CH](O)[CH]1O
CACTVS 3.385	O[C@H]1C=C[C@H](Cl)[C@@H](O)[C@@H]1O

Name:

(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol;
L-carbaxylosyl chloride

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).