BioLiP

PDB

BioLiP

PDB CCD ID:

MRU

Number of entries in BioLiP:

Chemical formula:

C6 H13 O7 P S

InChI:

InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1

InChIKey:

CNSJRYUMVMWNMC-RITPCOANSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CSC[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
CACTVS 3.341	CSC[C@@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CSCC(C(C(=O)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O
ACDLabs 10.04	O=C(C(O)C(O)CSC)COP(=O)(O)O

Name:

5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE

ZINC:

ZINC000001529999

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).