BioLiP

PDB

BioLiP

PDB CCD ID:

A1D9O

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O4

InChI:

InChI=1S/C5H9NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1

InChIKey:

HWNGLKPRXKKTPK-YVZJFKFKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(C(N1)C(=O)O)O)O
CACTVS 3.385	O[C@H]1CN[C@@H]([C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H]([C@H](N1)C(=O)O)O)O
CACTVS 3.385	O[CH]1CN[CH]([CH]1O)C(O)=O

Name:

(2~{S},3~{S},4~{S})-3,4-bis(oxidanyl)pyrrolidine-2-carboxylic acid;
HEPTULOSE-2-PHOSPHATE;
1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose;
1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose;
1-deoxy-2-O-phosphono-gluco-hept-2-ulose

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).