BioLiP

PDB

BioLiP

PDB CCD ID:

61J

Number of entries in BioLiP:

Chemical formula:

C8 H17 O8 P

InChI:

InChI=1S/C8H17O8P/c1-4-6(9)8(11)7(10)5(16-4)2-3-15-17(12,13)14/h4-11H,2-3H2,1H3,(H2,12,13,14)/t4-,5-,6+,7+,8+/m0/s1

InChIKey:

OCKMEQYTTIUDMB-TVNFTVLESA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H]1O[C@@H](CCO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01	C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
CACTVS 3.385	C[CH]1O[CH](CCO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)CCOP(=O)(O)O)O)O)O
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)(O)O)O)O)O

Name:

(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol

ZINC:

ZINC000584905318

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).