BioLiP

PDB

BioLiP

PDB CCD ID:

EUP

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O3

InChI:

InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1

InChIKey:

ACWKOLUJJZRCNF-HRFVKAFMSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(C(=O)O)C(O)CN
OpenEye OEToolkits 2.0.6	C(C(C(C(=O)O)N)O)N
OpenEye OEToolkits 2.0.6	C([C@@H]([C@@H](C(=O)O)N)O)N
CACTVS 3.385	NC[C@H](O)[C@H](N)C(O)=O
CACTVS 3.385	NC[CH](O)[CH](N)C(O)=O

Name:

4-amino-L-allothreonine

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).