BioLiP

PDB

BioLiP

PDB CCD ID:

OIB

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O5

InChI:

InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1

InChIKey:

AZZQNKGHODDJIM-YUPRTTJUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH](CN)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 3.1.0.0	COC(CN)C(C(C(=O)O)O)O
OpenEye OEToolkits 3.1.0.0	CO[C@@H](CN)[C@@H]([C@@H](C(=O)O)O)O
CACTVS 3.385	CO[C@@H](CN)[C@H](O)[C@H](O)C(O)=O

Name:

hydroxylated gamma-amino valeroyl moiety;
(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid;
(2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic 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).