BioLiP

PDB

BioLiP

PDB CCD ID:

3GL

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O5

InChI:

InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1

InChIKey:

HBDWQSHEVMSFGY-HRFVKAFMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C(C(C(=O)O)N)C(C(=O)O)O
ACDLabs 10.04	O=C(O)C(N)CC(O)C(=O)O
OpenEye OEToolkits 1.6.1	C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O
CACTVS 3.352	N[CH](C[CH](O)C(O)=O)C(O)=O
CACTVS 3.352	N[C@@H](C[C@H](O)C(O)=O)C(O)=O

Name:

(2S,4S)-2-amino-4-hydroxy-pentanedioic acid;
4-HYDROXY-GLUTAMIC-ACID

ChEMBL:

CHEMBL197110

ZINC:

ZINC000000901639

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).