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BioLiP Library

PDB CCD ID: MRU
Number of entries in BioLiP: 4
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:
SoftwareSMILES
CACTVS 3.341CSC[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
CACTVS 3.341CSC[C@@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CSCC(C(C(=O)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O
ACDLabs 10.04O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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