BioLiP

PDB

BioLiP

PDB CCD ID:

GC3

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O6

InChI:

InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1

InChIKey:

FAUNLXBEFZYFSG-PNAXYBNRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O
CACTVS 3.352	OC[CH]1O[CH]2OC(=N[CH]2[CH](O)[CH]1O)CO
CACTVS 3.352	OC[C@H]1O[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)CO
OpenEye OEToolkits 1.6.1	C(C1C(C(C2C(O1)OC(=N2)CO)O)O)O
ACDLabs 10.04	N1=C(OC2OC(C(O)C(O)C12)CO)CO

Name:

(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL

ZINC:

ZINC000095921364

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).