BioLiP

PDB

BioLiP

PDB CCD ID:

JAZ

Number of entries in BioLiP:

Chemical formula:

C7 H15 O9 P

InChI:

InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1

InChIKey:

UJSILGAUEGUBGA-NYLBLOMBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385	O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.385	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(C1O)O)O)O)O)OP(=O)(O)O

Name:

6-PHOSPHOCYCLOPHELLITOL

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).