BioLiP

PDB

BioLiP

PDB CCD ID:

R2T

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O5

InChI:

InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1

InChIKey:

KNSJPVSCCDSEJI-MGGFGJSXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O
CACTVS 3.370	N[C@@H]([C@@H](O)[C@H](O)C(N)=O)C(O)=O
CACTVS 3.370	N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)N)(C(C(=O)N)O)O
ACDLabs 12.01	O=C(N)C(O)C(O)C(C(=O)O)N

Name:

beta,gamma-dihydroxyglutamine

ZINC:

ZINC000098209342

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).