BioLiP

PDB

BioLiP

PDB CCD ID:

GE3

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O4

InChI:

InChI=1S/C7H15NO4/c1-7(11)3-12-6(10)4(9)5(7)8-2/h4-6,8-11H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1

InChIKey:

VXWORWYFOFDZLY-JWXFUTCRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1(COC(C(C1NC)O)O)O
CACTVS 3.341	CN[C@@H]1[C@@H](O)[C@@H](O)OC[C@]1(C)O
CACTVS 3.341	CN[CH]1[CH](O)[CH](O)OC[C]1(C)O
ACDLabs 10.04	OC1C(NC)C(O)(COC1O)C
OpenEye OEToolkits 1.5.0	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O

Name:

3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose;
5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL;
3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose;
3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose;
3-deoxy-4-C-methyl-3-(methylamino)-arabinose

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).