BioLiP

PDB

BioLiP

PDB CCD ID:

5KC

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O5

InChI:

InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1

InChIKey:

ITNGKQLAUYSKRS-UCORVYFPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O
CACTVS 3.385	N[CH]([CH](O)CNCC(O)=O)C(O)=O
CACTVS 3.385	N[C@@H]([C@@H](O)CNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C(C(C(=O)O)N)O)NCC(=O)O

Name:

(2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic 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).