BioLiP

PDB

BioLiP

PDB CCD ID:

KDO

Number of entries in BioLiP:

Chemical formula:

C8 H14 O8

InChI:

InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1

InChIKey:

NNLZBVFSCVTSLA-HXUQBWEZSA-N

SMILES:

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

Name:

3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid;
3-deoxy-d-manno-oct-2-ulopyranosonic acid;
2-keto-3-deoxy-D-mannooctanoic acid;
3-deoxy-alpha-D-manno-oct-2-ulosonic acid;
3-deoxy-D-manno-oct-2-ulosonic acid;
3-deoxy-manno-oct-2-ulosonic acid

DrugBank:

DB03548

ZINC:

ZINC000005851513

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).