BioLiP

PDB

BioLiP

PDB CCD ID:

I8Z

Number of entries in BioLiP:

Chemical formula:

C5 H10 O10 P2

InChI:

InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1

InChIKey:

OXGUIUWFXGIWNM-TXICZTDVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C1C(C2C(O1)OP(=O)(O2)O)O)OP(=O)(O)O
CACTVS 3.385	O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@@H]2O[P](O)(=O)O[C@H]12
CACTVS 3.385	O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)OP(=O)(O)O

Name:

Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate;
[(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate

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).