BioLiP

PDB

BioLiP

PDB CCD ID:

MN0

Number of entries in BioLiP:

Chemical formula:

C12 H21 N O10

InChI:

InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1

InChIKey:

NFUCYHODBBSMAK-BLMTXZDNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	COC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)CO)O)C(=O)O
OpenEye OEToolkits 1.7.2	CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O
ACDLabs 12.01	O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
CACTVS 3.370	CO[C]1(C[CH](O)[CH](NC(=O)CO)[CH](O1)[CH](O)[CH](O)CO)C(O)=O
CACTVS 3.370	CO[C@@]1(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O

Name:

methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-galacto-non-2-ulosidonic 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).