BioLiP

PDB

BioLiP

PDB CCD ID:

GME

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey:

ZGEYCCHDTIDZAE-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.352	COC(=O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0	COC(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.7.0	COC(=O)CC[C@@H](C(=O)O)N
CACTVS 3.352	COC(=O)CC[CH](N)C(O)=O
ACDLabs 11.02	O=C(OC)CCC(C(=O)O)N

Name:

5-O-methyl-glutamic acid;
(2S)-2-amino-5-methoxy-5-oxopentanoic acid

ChEMBL:

CHEMBL1233072

ZINC:

ZINC000002003955

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).