BioLiP

PDB

BioLiP

PDB CCD ID:

KDD

Number of entries in BioLiP:

Chemical formula:

C8 H12 O6

InChI:

InChI=1S/C8H12O6/c9-3-5(11)6-1-4(10)2-7(14-6)8(12)13/h2,4-6,9-11H,1,3H2,(H,12,13)/t4-,5-,6+/m1/s1

InChIKey:

DVEBLXNKVWKMJU-PBXRRBTRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(C=C(OC1C(CO)O)C(=O)O)O
CACTVS 3.385	OC[C@@H](O)[C@@H]1C[C@@H](O)C=C(O1)C(O)=O
OpenEye OEToolkits 2.0.7	C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O

Name:

2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid;
5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid

ZINC:

ZINC000058639086

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).