BioLiP

PDB

BioLiP

PDB CCD ID:

PED

Number of entries in BioLiP:

Chemical formula:

C5 H13 O6 P

InChI:

InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1

InChIKey:

FQKLTSRHTQGSQZ-CRCLSJGQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.5	CCC(C(COP(=O)(O)O)O)O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(O)CC
OpenEye OEToolkits 1.7.5	CC[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.385	CC[CH](O)[CH](O)CO[P](O)(O)=O

Name:

PENTANE-3,4-DIOL-5-PHOSPHATE;
OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE

ZINC:

ZINC000015614168

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).