BioLiP

PDB

BioLiP

PDB CCD ID:

KDF

Number of entries in BioLiP:

Chemical formula:

C6 H10 O6

InChI:

InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1

InChIKey:

RCUMQJPRQWRUNN-MRKVFDINSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH]1O[C](O)(C[CH]1O)C(O)=O
CACTVS 3.341	OC[C@H]1O[C@](O)(C[C@@H]1O)C(O)=O
ACDLabs 10.04	O=C(O)C1(O)OC(CO)C(O)C1
OpenEye OEToolkits 1.5.0	C1C(C(OC1(C(=O)O)O)CO)O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O

Name:

3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid;
2-keto-3-deoxygluconate;
3-deoxy-alpha-D-erythro-hex-2-ulosonic acid;
3-deoxy-D-erythro-hex-2-ulosonic acid;
3-deoxy-erythro-hex-2-ulosonic acid

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).