BioLiP

PDB

BioLiP

PDB CCD ID:

KG1

Number of entries in BioLiP:

Chemical formula:

C9 H14 O5

InChI:

InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1

InChIKey:

ZGNQHYGPHWSZCN-JTPBWFLFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1C(C(C(C(O1)OC=C=C)O)O)O
OpenEye OEToolkits 2.0.6	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O
CACTVS 3.385	C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O
CACTVS 3.385	C[C@@H]1O[C@@H](O[CH]=[C]=[CH2])[C@@H](O)[C@H](O)[C@@H]1O

Name:

propadienyl 6-deoxy-alpha-L-galactopyranoside;
propargyl-fucoside;
propadienyl 6-deoxy-alpha-L-galactoside;
propadienyl 6-deoxy-L-galactoside;
propadienyl 6-deoxy-galactoside

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).