BioLiP

PDB

BioLiP

PDB CCD ID:

RAO

Number of entries in BioLiP:

Chemical formula:

C7 H14 O5

InChI:

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1

InChIKey:

OHWCAVRRXKJCRB-PAMBMQIZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O
CACTVS 3.341	CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341	CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O

Name:

methyl 6-deoxy-alpha-L-rhamnopyranoside;
1-O-METHYL-ALPHA-RHAMNOSE;
methyl 6-deoxy-alpha-L-mannopyranoside;
methyl 6-deoxy-alpha-L-rhamnoside;
methyl 6-deoxy-L-rhamnoside;
methyl 6-deoxy-rhamnoside

ZINC:

ZINC000005752253

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).