BioLiP

PDB

BioLiP

PDB CCD ID:

DO8

Number of entries in BioLiP:

Chemical formula:

C8 H15 O11 P

InChI:

InChI=1S/C8H15O11P/c9-3-1-8(14,7(12)13)19-6(5(3)11)4(10)2-18-20(15,16)17/h3-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/t3-,4-,5-,6-,8-/m1/s1

InChIKey:

IZZNRKJLBIYBJN-HXUQBWEZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@H](CO[P](O)(O)=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C1C(C(C(OC1(C(=O)O)O)C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O
CACTVS 3.341	O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04	O=P(O)(O)OCC(O)C1OC(O)(C(=O)O)CC(O)C1O

Name:

3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid;
3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHOSPHATE;
3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulosonic acid;
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid;
3-deoxy-8-O-phosphono-manno-oct-2-ulosonic acid

ZINC:

ZINC000033820094

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).