BioLiP

PDB

BioLiP

PDB CCD ID:

BWB

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O7

InChI:

InChI=1S/C8H15NO7/c9-3(7(13)14)1-15-8-6(12)5(11)4(10)2-16-8/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4?,5?,6?,8?/m0/s1

InChIKey:

JZKWDGBUDUNWAP-SQYPTRDESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C(C(C(C(O1)OCC(C(=O)O)N)O)O)O
CACTVS 3.385	N[CH](COC1OCC(O)C(O)C1O)C(O)=O
OpenEye OEToolkits 2.0.6	C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O
CACTVS 3.385	N[C@@H](COC1OCC(O)C(O)C1O)C(O)=O

Name:

(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid

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).