BioLiP

PDB

BioLiP

PDB CCD ID:

MDA

Number of entries in BioLiP:

Chemical formula:

C7 H14 O4

InChI:

InChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1

InChIKey:

YQLFLCVNXSPEKQ-GBNDHIKLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(CC(O1)O)(C)O)O
CACTVS 3.341	C[C@H]1O[C@@H](O)C[C@](C)(O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O
ACDLabs 10.04	OC1(C)C(O)C(OC(O)C1)C
CACTVS 3.341	C[CH]1O[CH](O)C[C](C)(O)[CH]1O

Name:

2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose;
2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE;
2,6-dideoxy-3-C-methyl-beta-D-ribo-hexose;
2,6-dideoxy-3-C-methyl-D-ribo-hexose;
2,6-dideoxy-3-C-methyl-ribo-hexose

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).